Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T57943 | Target Info | |||
| Target Name | Caspase-3 (CASP3) | ||||
| Synonyms |
Yama protein; SREBP cleavage activity 1; SCA-1; Protein Yama; Cysteine protease CPP32; Caspase 3; CPP32; CPP-32; CASP-3; Apopain
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| Target Type | Clinical trial Target | ||||
| Gene Name | CASP3 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 75 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Etoposide
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Approved | Compound Info | ||
| Synonyms |
etoposide; 33419-42-0; VePesid; Toposar; trans-Etoposide; Lastet; (-)-Etoposide; Zuyeyidal; Etoposidum; Etoposido; Vepesid J; Eposin; Etoposidum [INN-Latin]; Etoposide (VP16); VP 16-213; VP 16 (pharmaceutical); Etoposido [INN-Spanish]; Etopophos (phosphate salt); VP-16-213; 4-Demethylepipodophyllotoxin beta-D-ethylideneglucoside; VP 16213; UNII-6PLQ3CP4P3; NK 171; NSC 141540; CCRIS 2392; HSDB 6517; 4'-Demethylepipodophyllotoxin 9-(4,6-O-(R)-ethylidene-beta-D-glucopyranoside); EINECS 251-509-1; NSC-141540; Eposide; Etopol; Etosid; Vepeside; Demethyl EpipodophyllotoxinEthylidine Glucoside; E0675; Demethyl-epiodophyllotoxin ethylidene glucoside; Epipodophyllotoxin VP-16213; Eposin (TN); Etopophos (TN); Trans-Etoposide; VePESID (TN); Vepesid (TN); DEMETHY-EPIPODOPHYLLOTOXIN, ETHYLIDENE GLUCOSIDE; VP-16 (TN); Demethylepipodophyllotoxin-beta-D-ethylideneglucoside; Etoposide (JP15/USP/INN); Etoposide [USAN:INN:BAN:JAN]; Eposin, Vepesid, VP-16, Toposar, Etoposide; Epipodophyllotoxin, 4'-demethyl-, 4,6-O-ethylidene-beta-D-glucopyranoside; Epipodophyllotoxin, 4'-demethyl-, 4,6-O-ethylidene-beta-D-glucopyranoside (8CI); Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-ethylidene-beta-D-glucopyranoside); 4'-Demethyl-epipodophyllotoxin 9-[4,6-O-(R)-ethylidene-beta-D-glucopyranoside; 4'-Demethylepipodophyllotoxin 9-(4,6-O-ethylidene-beta-D-glucopyranoside); 4'-Demethylepipodophyllotoxin ethylidene-beta-D-glucoside; 4'-O-Demethyl-1-O-(4,6-O-ethylidene-beta-D-glucopyranosyl)epipodophyllotoxin; 4-Demethylepipodophyllotoxin-beta-D-ethylideneglucoside
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
Clorgyline
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Approved | Compound Info | ||
| Synonyms |
Chlorgyline; Clorgilin; Clorgilina; Clorgiline; Clorgilinum; Clorgiline [INN]; M and B 9302; Clorgilina [INN-Spanish]; Clorgiline (INN); Clorgilinum [INN-Latin]; M & B 9302; N-methyl-n-propargyl-3-(2,4-dichlorophenoxy)propylamine; N-(3-(2,4-Dichlorophenoxy)propyl)-N-methyl-2-propynylamine; N-[3-(2,4-DICHLOROPHENOXY)PROPYL]-N-METHYL-N-PROP-2-YNYLAMINE; 2-Propyn-1-amine, N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-(9CI); 3-(2,4-dichlorophenoxy)-N-methyl-N-prop-2-ynylpropan-1-amine
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Selegiline
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Approved | Compound Info | ||
| Synonyms |
selegiline; L-Deprenalin; Emsam; (-)-selegiline; Selegilinum; Selegilina; Carbex; 14611-51-9; Selegilinum [INN-Latin]; Selegilina [INN-Spanish]; UNII-2K1V7GP655; l-E 250; CHEMBL972; CHEBI:9086; N-methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine; 2K1V7GP655; (R)-(-)-N,alpha-Dimethyl-N-2-propinylphenethylamine; Benzeneethanamine, N,alpha-dimethyl-N-2-propynyl-, (R)-; selgene; (R)-(-)-N-Methyl-N-(1-phenyl-2-propyl)-2-propinylamin; Selegyline; Zalapar; Selegiline (transdermal, Parkinson's/depression); Zunrisa/Rezonic
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
L-709049
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Terminated | Compound Info | ||
| Synonyms |
Ac-Yvad-cho; L-709049; 143313-51-3; Acetyl-tyrosyl-valyl-alanyl-aspartal; Caspase-1 Inhibitor I; CHEMBL37630; Ac-Tyr-Val-Ala-Asp-H; IL-1beta Converting Enzyme (ICE) Inhibitor I; acetyl-Tyr-Val-Ala-Asp-aldehyde; N-acetyl-Tyr-Val-Ala-Asp-aldehyde; (3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]propanamido]-4-oxobutanoic acid; Ac-Tyr-Val-Ala-Asp-Aldehyde; AC1NSK2K; SCHEMBL4349143; BDBM10355; MolPort-016-580-695; N-acetyl-Tyr-Val-Ala-Asp aldehyde; ZINC3915255; 1600AH; NCGC00167338-01
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| Activity |
IC50 = 190000 nM
|
[3] | |||
| Compound Name |
1-methyl-1H-indole-2,3-dione
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Investigative | Compound Info | ||
| Synonyms |
N-Methylisatin; 2058-74-4; 1-Methylisatin; 1-methylindoline-2,3-dione; 1-Methyl-1H-indole-2,3-dione; 1-methylindole-2,3-dione; 1H-Indole-2,3-dione, 1-methyl-; 1-Methyl-indole-2,3-dione; NSC 42449; 1 methylisatine; OL-57; 1-methyl-2,3-dihydro-1H-indole-2,3-dione; 1-Methyl-2,3-indolinedione; INDOLE-2,3-DIONE, 1-METHYL-; EINECS 218-164-9; N-methylindol-2,3-dione; BRN 0128280; N-Methylindoline-2,3-dione; 1-Methyl-2,3-dihydroindole-2,3-dione; CHEMBL60569; VCYBVWFTGAZHGH-UHFFFAOYSA-N; MFCD00005812; 1-Methylisatin, 98%
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
LDN-91946
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Investigative | Compound Info | ||
| Synonyms |
compound 7
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| Activity |
Ki = 100000 nM
|
[5] | |||
| Compound Name |
1H-Indole-2,3-dione
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Investigative | Compound Info | ||
| Synonyms |
Isatin; 91-56-5; Indoline-2,3-dione; 2,3-Indolinedione; INDOLE-2,3-DIONE; 2,3-Dioxoindoline; Isatine; Pseudoisatin; Isatic acid lactam; Tribulin; Isotin; 2,3-Diketoindoline; Isatinic acid anhydride; 2,3-Ketoindoline; o-Aminobenzoylformic anhydride; 2,3-Dioxo-2,3-dihydroindole; 2,3-dihydro-1H-indole-2,3-dione; NSC 9262; UNII-82X95S7M06; EINECS 202-077-8; BRN 0383659; AI3-03111; CHEMBL326294; 2,3-dihydroindole-2,3-dione; CHEBI:27539; JXDYKVIHCLTXOP-UHFFFAOYSA-N; MFCD00005718; 82X95S7M06; 84788-92-1; Isatin, 98%
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| Activity |
IC50 ~ 100000 nM
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[2] | |||
| Compound Name |
(2S)-N-[(1S)-3-Amino-1-cyano-3-oxopropyl]-1-[4-(4-tert-butylphenyl)phenyl]sulfonylpyrrolidine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3741594; BDBM50499737
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| Activity |
IC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
N'-(2-Hydroxybenzylidene)-2-(4-methyl-1-piperazinyl)acetohydrazide
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Investigative | Compound Info | ||
| Synonyms |
CID5406498; CHEMBL1221937; SCHEMBL12222489; BDBM36366; (4-Methylpiperazin-1-yl)-acetic acid (2-hydroxy-benzylidene)-hydrazide, 4
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| Activity |
EC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(5-Bromothiophen-2-yl)(4-methyl-1H-pyrazol-1-yl)methanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2086888; ZINC1056326; BDBM50420473; STK464513; AKOS003371499; MCULE-9259422861; 5-bromo(2-thienyl) 4-methylpyrazolyl ketone; ST50838073; SR-01000292670; SR-01000292670-1
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| Activity |
IC50 ~ 50000 nM
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[7] | |||
| Compound Name |
(4-Benzylpiperazin-1-yl)-acetic acid ethylidene-hydrazide, 5
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Investigative | Compound Info | ||
| Synonyms |
CID9543561; CHEMBL1221938; SCHEMBL12222495; BDBM36367; BDBM312058; US10166229, Example 00028
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| Activity |
EC50 ~ 50000 nM
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[1] | |||
| Compound Name |
(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3R)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3-(4-methylphenyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1835319; BDBM50355096
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| Activity |
IC50 ~ 50000 nM
|
[8] | |||
| Compound Name |
(3S)-3-Acetamido-4-oxobutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL324131; SCHEMBL4599055
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| Activity |
Ki ~ 50000 nM
|
[9] | |||
| Compound Name |
Berkedrimane B
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2011680; Rel-Berkedrimane B; SCHEMBL17307615; BDBM50379300; ZINC36378985
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| Activity |
IC50 = 50000 nM
|
[10] | |||
| Compound Name |
N-(4-Bromophenyl)acrylamide
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Investigative | Compound Info | ||
| Synonyms |
n-(4-bromophenyl)prop-2-enamide; MLS000534257; CHEMBL1605548; SMR000141694; SR-01000236685; NSC98136; SCHEMBL1380051; N-(4-Bromo-phenyl)-acrylamide; CTK0I4336; DTXSID90294794; HMS1587N18; HMS2299K06; ZINC454029; 2-Propenamide, N-(4-bromophenyl)-; BDBM50420456; MFCD02375842; NSC-98136; AKOS003287334; AM86586; MCULE-8946793239; NE19439; EN300-41622; J-007342; SR-01000236685-1; SR-01000236685-3; Z425484886
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| Activity |
IC50 ~ 50000 nM
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[7] | |||
| Compound Name |
2-(4-Benzylpiperazin-1-yl)acetohydrazide
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Investigative | Compound Info | ||
| Synonyms |
1-Piperazineacetic acid, 4-(phenylmethyl)-, hydrazide; 2-[4-(phenylmethyl)-1-piperazinyl]acetohydrazide; 1-Piperazineaceticacid, 4-(phenylmethyl)-, hydrazide; CID9543562; SCHEMBL4084709; CHEMBL1221939; BDBM36368; CTK1A1395; DTXSID50429500; ZINC19795636; 2-[4-benzylpiperazinyl]acetohydrazide; AKOS002364334; MCULE-4739571890; BP-11930; 4-Benzyl-1-piperazineacetic acid hydrazide; FT-0646058; ST50214266; K-6571; 2-[4-(phenylmethyl)piperazin-1-yl]ethanehydrazide; A817410; (4-Benzylpiperazin-1-yl)-acetic acid hydrazide, 6; 1-Piperazineacetic acid,4-(phenylmethyl)-,hydrazide; F3308-2725
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| Activity |
EC50 ~ 50000 nM
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[1] | |||
| Compound Name |
1-Benzylpiperazine
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Investigative | Compound Info | ||
| Synonyms |
Benzylpiperazine; N-benzylpiperazine; 1-(phenylmethyl)piperazine; 4-Benzylpiperazine; Piperazine, 1-benzyl-; 1-Benzyl-piperazine; Piperazine, 1-(phenylmethyl)-; UNII-3UG152ZU0E; NSC 40889; N-benzyl piperazine; N-(phenylmethyl)piperazine; 3UG152ZU0E; CHEMBL113600; F0850-6735; 1-Benzyl-piperazine Hydrochloride; EINECS 220-423-6; AI3-52573; benzyl piperazine; N-Benylpiperazine; N-Benzylpiprazine; 1-benylpiperazine; 4-benzylpiperzine; N-benzyl-piperazine; 1 -benzylpiperazine; 1-benzyl piperazine; 4-benzyl piperazine; 4-benzyl-piperazine; 1- Benzylpiperazine; 1-N-benzylpiperazine; 1-(benzyl)piperazine; PubChem8563; PubChem8724; Mono benzyl piperazine; 1-(benzyl)-piperazine; N-phenylmethylpiperazine; (phenylmethyl)piperazine; 1-phenylmethylpiperazine; 1-Benzylpiperazine diHCl; 4-(phenylmethyl)piperazine; 1-Benzyl-piperazine, 10; 1-(phenyl-methyl)piperazine; 1-(phenylmethyl)-piperazine; SCHEMBL83548; KSC447K6J; DEA No. 7493; DTXSID0022197; CTK3E7564; IQXXEPZFOOTTBA-UHFFFAOYSA-; ACT00027; ACT09464; BCP04193; KS-000001IP; NSC40889; ANW-26237; BBL018522; BDBM50004308; NSC-40889; Piperazine,1-(phenylmethyl)-(9CI); RW1183; RW2306; SBB007534; STK298724; ZINC22916607; AKOS000264277; AM85333; AS04451; EBD2219734; LF-0548; LS00137; MCULE-1144586968; SB36348; 1-Benzylpiperazine, >=97.0% (GC); AC-11628; AC-28091; SC-03073; AB0006004; DB-005678; FT-0634469; FT-0689815; H8218; ST45156537; EN300-18293; VU0488792-1; A25584; Q161585; thiourea,n,n'-bis(2,3-dihydro-1h-indol-7-yl)-; W-107101; 1-(phenylmethyl)-piperazin;Piperazine, 1-(phenylmethyl)-;Piperazine, 1-benzyl-
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| Activity |
EC50 ~ 50000 nM
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[1] | |||
| Compound Name |
N'-Benzylidene-2-(4-benzyl-1-piperazinyl)acetohydrazide
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Investigative | Compound Info | ||
| Synonyms |
CID6885304; CHEMBL572505; SCHEMBL12222491; BDBM36365; STL333402; ZINC33097038; AKOS022134697; (4-Benzylpiperazin-1-yl)-acetic acid benzylidene-hydrazide, 3; 2-(4-benzylpiperazin-1-yl)-N'-[(E)-phenylmethylidene]acetohydrazide
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| Activity |
EC50 ~ 50000 nM
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[1] | |||
| Compound Name |
Ethyl 2-(piperazin-1-yl)acetate
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Investigative | Compound Info | ||
| Synonyms |
Ethyl 1-piperazineacetate; 1-(Ethoxycarbonylmethyl)piperazine; ethyl piperazin-1-ylacetate; Ethyl piperazine-1-acetate; Ethyl piperazinoacetate; 1-Piperazineacetic acid, ethyl ester; ethyl 1-piperazinylacetate; ethyl 2-piperazin-1-ylacetate; Ethyl1-piperazineacetate; 2-(Piperazin-1-yl)-acetic acid ethyl ester; MFCD00040739; 2-(Piperazin-1-yl)acetic acid ethyl ester; ethyl (piperazin-1-yl)acetate; 1-piperazineacetic acid ethyl ester; ethyl 2-piperazinylacetate; EINECS 254-745-3; CID207112; ethyl piperazineacetate; piperazin-1-yl-acetic acid ethyl ester; zlchem 1030; ACMC-1ANMG; Ethyl 2-piperazinoacetate; Ethyl 4-piperazineacetate; SCHEMBL5699; 4-carboethoxymethylpiperazine; 1-ethoxycarbonylmethylpiperazine; CHEMBL1221941; BDBM36370; CTK3J4917; KS-00002ACH; Piperazinoacetic acid ethyl ester; DTXSID30193070; ZLD0496; 2-(2-ethylpiperazin-1-yl)acetate; 1-(Ethoxycarbonylmethyl)-piperazine; ALBB-021301; 1-(ethoxy carbonylmethyl)-piperazine; 1-[(ethoxycarbonyl)methyl]piperazine; ANW-70694; CE0101; SBB042765; STL168023; ZINC19943348; N-[(ethoxycarbonyl)methyl]-piperazine; AKOS000264276; MCULE-6474808307; PS-5075; SC-25299; Ethyl piperazinoacetate, >=95.0% (GC); DB-031839; Piperazin-1-yl-acetic acid ethyl ester, 8; A6681; FT-0629268; FT-0629269; ST50407965; V5738; EN300-24091; K-8558; 5-HEPTYL-2-(4-OCTYLOXYPHENYL)PYRIMIDINE; AB00809285-02; Q-102287; F2158-0956
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| Activity |
EC50 ~ 50000 nM
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[1] | |||
| Compound Name |
1-Methyl-2,3-dioxoindoline-5-carboxylic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL149556; 1-methyl-2,3-dioxoindole-5-carboxylic acid; 1H-Indole-5-carboxylic acid, 2,3-dihydro-1-methyl-2,3-dioxo-; 1-Methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxylic acid; SCHEMBL8023763; ZINC3590617; BDBM50055219; AKOS002677253; 1-methyl-2,3-dioxo-5-indolinecarboxylic acid; 1-methyl-2,3-dioxo-indoline-5-carboxylic acid; 1-Methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxylic acid anion
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| Activity |
IC50 ~ 50000 nM
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[4] | |||
| Compound Name |
1,4-Dibenzylpiperazine
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Investigative | Compound Info | ||
| Synonyms |
Dibenzylpiperazine; N,N'-Dibenzylpiperazine; 1,4-Dibenzyl-piperazine; Piperazine, 1,4-bis(phenylmethyl)-; UNII-616774W5JF; CHEMBL162522; 616774W5JF; J503.930D; Oprea1_733713; CBDivE_003269; 1,4-Dibenzyl-piperazine, 9; IFLab1_000332; SCHEMBL1415730; CTK0G7039; DTXSID10899765; HMS1412P02; BDBM50125096; STK116900; ZINC19301168; AKOS001023702; MCULE-4670339669; NE39774; IDI1_008551; DS-016091; EN300-54664; AF-960/00436050; Q5272264
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| Activity |
EC50 ~ 50000 nM
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[1] | |||
| Compound Name |
Ethyl 2-(4-benzylpiperazin-1-yl)acetate
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Investigative | Compound Info | ||
| Synonyms |
1-BENZYL-4-(ETHOXYCARBONYLMETHYL)PIPERAZINE; ethyl 2-[4-benzylpiperazinyl]acetate; CID5060109; ACMC-20aoy0; Ethyl 4-benzylpiperazineacetate; SCHEMBL4083554; CHEMBL1221940; BDBM36369; CTK4F1032; DTXSID90407903; ethyl 2-(4-benzylpiperazino)acetate; MFCD01076590; SBB102576; ZINC90471637; AKOS003974144; MCULE-3050843914; N-BENZOYL-N,N-DIISOBUTYLTHIOUREA; BP-11792; FT-0607401; ST50408226; (4-Benzylpiperazin-1-yl)acetic Acid Ethyl Ester-d8; (4-Benzylpiperazin-1-yl)-acetic acid ethyl ester, 7; 1-Piperazineaceticacid, 4-(phenylmethyl)-, ethyl ester
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| Activity |
EC50 ~ 50000 nM
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[1] | |||
| Compound Name |
(2S)-N-[(1S)-3-Amino-1-cyano-3-oxopropyl]-1-(4-phenylphenyl)sulfonylpyrrolidine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3740601; BDBM50499736
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| Activity |
IC50 ~ 50000 nM
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[6] | |||
| Compound Name |
(2S)-N-[(1S)-3-Amino-1-cyano-3-oxopropyl]-1-[4-(4-methoxyphenyl)phenyl]sulfonylpyrrolidine-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3740153; BDBM50499738
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| Activity |
IC50 ~ 50000 nM
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[6] | |||
| Compound Name |
N-[(3-Fluorophenyl)methyl]-N-methyl-2,3-dioxo-1-prop-2-ynylindole-5-sulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3916392
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| Activity |
IC50 = 51490 nM
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[2] | |||
| Compound Name |
6-(4-Chlorophenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805088; BDBM50171505
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| Activity |
IC50 = 52340 nM
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[11] | |||
| Compound Name |
{(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-2-oxo-azepan-3-yl}-carbamic acid benzyl ester
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL92930; BDBM50072045
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| Activity |
IC50 = 53000 nM
|
[12] | |||
| Compound Name |
(3S)-4-Oxo-3-(pyridin-2-ylformamido)butanoic acid
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Investigative | Compound Info | ||
| Synonyms |
aspartyl aldehyde 5; CHEMBL304276; BDBM10558
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| Activity |
IC50 = 55000 nM
|
[13] | |||
| Compound Name |
[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl](thiophen-2-ylsulfanyl)methanone
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Investigative | Compound Info | ||
| Synonyms |
Oprea1_472683; Burnham Institute Compound 5; CHEMBL193538; BDBM10219; BI-9B11; HMS1665H02; MCULE-8815858593; BRD-A61097160-001-01-3
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| Activity |
IC50 = 55000 nM
|
[14] | |||
| Compound Name |
(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[6-hydroxy-1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1835401; BDBM50355105
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| Activity |
IC50 = 58600 nM
|
[8] | |||
| Compound Name |
(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1835399; BDBM50355103
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| Activity |
IC50 ~ 60000 nM
|
[8] | |||
| Compound Name |
(S)-1-[3-(3-Hydroxypropoxy)propyl]-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL492735; BDBM50257481
Click to Show/Hide
|
||||
| Activity |
IC50 = 60900 nM
|
[15] | |||
| Compound Name |
N-Methyl-N-(2-fluorobenzyl)-2,3-dihydro-2,3-dioxo-1H-indole-5-sulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3923040; J3.563.904G
Click to Show/Hide
|
||||
| Activity |
IC50 = 60960 nM
|
[2] | |||
| Compound Name |
12-Fluoro-7-methyl-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaene-3,5-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
pyrrolo[3,4-c]quinoline 6b; CHEMBL360903; BDBM10376
Click to Show/Hide
|
||||
| Activity |
IC50 = 62800 nM
|
[16] | |||
| Compound Name |
6-(2-Chlorophenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805488; BDBM50171507
Click to Show/Hide
|
||||
| Activity |
IC50 = 63200 nM
|
[11] | |||
| Compound Name |
(3S)-3-[(5-Bromopyridin-3-yl)formamido]-4-oxo-5-phenylpentanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
nicotinyl aspartyl ketone 10; CHEMBL67349; BDBM10562
Click to Show/Hide
|
||||
| Activity |
IC50 = 63700 nM
|
[13] | |||
| Compound Name |
(S)-3-((S)-2-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-3-methylbutanamido)-5-(phenylsulfonyl)pent-4-enoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1242788; BDBM50326096
Click to Show/Hide
|
||||
| Activity |
IC50 = 69100 nM
|
[17] | |||
| Compound Name |
(4-Chlorophenyl) 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Maybridge4_002244; Oprea1_801076; Burnham Institute Compound 8; BI-9C4; CHEMBL195577; BDBM10222; DTXSID40384891; HMS1527F22; CCG-250683; MCULE-9205334627; NCGC00176765-01; BRD-A55814806-001-01-9; 4-chlorophenyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazole-4-carboxylate
Click to Show/Hide
|
||||
| Activity |
IC50 = 74000 nM
|
[14] | |||
| Compound Name |
(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3S)-3-(2,2-dimethylpropyl)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1835317; BDBM50355094
Click to Show/Hide
|
||||
| Activity |
IC50 = 78350 nM
|
[8] | |||
| Compound Name |
N-[[4-(Aminomethyl)phenyl]methyl]-3-[5-[[[(E)-2-phenylethenyl]sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-1,2,4-oxadiazol-3-yl]benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2086887; BDBM50420455
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 80000 nM
|
[7] | |||
| Compound Name |
1-Butyl-5-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391854; BDBM50435984
Click to Show/Hide
|
||||
| Activity |
IC50 = 81100 nM
|
[18] | |||
| Compound Name |
(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3-propan-2-yloxypiperidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1835323; BDBM50355100
Click to Show/Hide
|
||||
| Activity |
IC50 = 81500 nM
|
[8] | |||
| Compound Name |
Ethyl 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Maybridge3_003925; Oprea1_019141; Burnham Institute Compound 9; BI-9C5; CHEMBL370604; BDBM10223; HMS1442C09; MCULE-8085095066; IDI1_015312
Click to Show/Hide
|
||||
| Activity |
IC50 = 82000 nM
|
[14] | |||
| Compound Name |
[(3R,6S,8As)-3-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-5-oxo-hexahydro-thiazolo[3,2-a]pyridin-6-yl]-carbamic acid benzyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL92017; BDBM50072048
Click to Show/Hide
|
||||
| Activity |
IC50 = 86000 nM
|
[12] | |||
| Compound Name |
2-Ethyl-1,2-benzothiazol-3-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1996492; NSC357895; SCHEMBL3143600; DTXSID90320320; ZINC1584136; BDBM50435393; NSC-357895; NCI60_003247; 2-Ethyl-1,2-benzoisothiazole-3(2H)-one
Click to Show/Hide
|
||||
| Activity |
IC50 = 91240 nM
|
[19] | |||
| Compound Name |
(S)-3-((2S,3S)-2-(Benzyloxycarbonylamino)-3-methylpentanamido)-5-(methylsulfonyl)pent-4-enoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1242700; BDBM50326095
Click to Show/Hide
|
||||
| Activity |
IC50 = 94600 nM
|
[17] | |||
| Compound Name |
(3S)-3-[(5-Bromopyridin-3-yl)formamido]-4-oxo-9-phenylnonanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
nicotinyl aspartyl ketone 12; CHEMBL69426; BDBM10564
Click to Show/Hide
|
||||
| Activity |
IC50 = 96900 nM
|
[13] | |||
| Compound Name |
3,3-Difluoro-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-propyl-2H-indole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL522191; BDBM50257479; (S)-3,3-Difluoro-1-propyl-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]indolin-2-one
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
(S)-1-[3-(3-Fluoropropoxy)propyl]-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL475858; BDBM50256798
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
{(S)-1-[(S)-1-((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-ethyl]-2-oxo-pyrrolidin-3-yl}-carbamic acid benzyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL92407; BDBM50072050
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
{(S)-1-[((S)-2-Hydroxy-5-oxo-tetrahydro-furan-3-ylcarbamoyl)-methyl]-2-oxo-piperidin-3-yl}-carbamic acid benzyl ester
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL96496; BDBM50072052
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[12] | |||
| Compound Name |
(E,3S)-3-[[(2S)-1-[(2R)-2-[(4-Amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-methylsulfonylpent-4-enoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2323966; BDBM50426564
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[20] | |||
| Compound Name |
4-Methyl-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
4-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]quinoline-1,3-dione; 4-methylpyrrolo[3,4-c]quinoline-1,3-dione; 1H-Pyrrolo[3,4-c]quinoline-1,3(2H)-dione,4-methyl-; 4-methyl-1H,2H,3H-pyrrolo[3,4-c]quinoline-1,3-dione; Oprea1_268397; MLS000859067; pyrrolo[3,4-c]quinoline 6a; CHEMBL183656; cid_611339; SCHEMBL8312697; BDBM10375; CTK4F9419; KS-00003SOZ; DTXSID80346337; HMS1665E11; ZINC160844; CCG-43764; MFCD00179682; SBB094631; AKOS025117108; MCULE-3686072552; SMR000459246; TS-01509; DB-067759; FT-0619002; 2-Methyl-3,4-quinolinedicarboxylic acid imide; 4-Methyl-pyrrolo[3,4-c]quinoline-1,3-dione; 4-methyl-2H-azolino[3,4-c]quinoline-1,3-dione; SR-01000633657-1; BRD-K44964675-001-06-1; 4-Methyl-1H-pyrrolo[3,4-c]quinoline-1,3(2H)-dione #; dioxo-4-methyl-2,3-dihydro-1h-pyrrolo[3,4-c]quinoline; 4-Methyl-2,3-dihydro-1H-pyrrolo-[3,4-c]quinoline-1,3-dione
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[16] | |||
| Compound Name |
(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3-pyrimidin-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1835316; BDBM50355093
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
1-(2-Propynyl)-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
1-prop-2-ynylindole-2,3-dione; 1-(Prop-2-yn-1-yl)indoline-2,3-dione; 1-(prop-2-yn-1-yl)-2,3-dihydro-1H-indole-2,3-dione; 1-(prop-2-yn-1-yl)-1H-indole-2,3-dione; N-propargylisatin; 1H-Indole-2,3-dione, 1-(2-propyn-1-yl)-; SCHEMBL949868; 1-Propargylindoline-2,3-dione; CHEMBL3965645; CTK4I6777; KS-00001STP; DTXSID40365569; ZINC2286529; 3229AE; BBL035652; MFCD00225166; SBB006819; STK824108; 1-(prop-2-ynyl)indoline-2,3-dione; AKOS000245099; 1-prop-2-ynyl-1H-indole-2,3-dione; CCG-103563; MCULE-3625113143; NE19837; 12L-501S; 1-prop-2-yn-1-yl-1H-indole-2,3-dione; 1-prop-2-ynylbenzo[d]azolidine-2,3-dione; FT-0680069; 1H-Indole-2,3-dione,1-(2-propyn-1-yl)-; SR-01000394032; 1-(2-propynyl)-1H-indole-2,3-dione, AldrichCPR; J-503609; SR-01000394032-1; Z57493357
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-[(4-Fluorophenyl)methyl]-N-methyl-2,3-dioxo-1-prop-2-ynylindole-5-sulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3986142
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[(2S,3S)-2-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-3-propan-2-yloxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1835212; BDBM50355089
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
3-[3-[5-[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl-2,3-dioxoindol-1-yl]propoxy]propyl methanesulfonate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL475020; BDBM50256797
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[15] | |||
| Compound Name |
(E)-Ethyl 4-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL370276; STK878505; ZINC13611342; AKOS005638037; F3220-0711; ethyl 4-({(E)-2-cyano-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[14] | |||
| Compound Name |
N-(4-Iodophenyl)-3-oxo-1,2-benzothiazole-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391775; BDBM50435392
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[19] | |||
| Compound Name |
(3S)-3-[[(2S)-2-Acetamido-3-methylbutanoyl]amino]-4-[[(2S)-1-[1-[[(3S)-2-hydroxy-5-oxooxolan-3-yl]carbamoyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1835400; BDBM50355104
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
5-[(2S,4S)-2-(Methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391862; BDBM50435989
Click to Show/Hide
|
||||
| Activity |
IC50 = 101000 nM
|
[18] | |||
| Compound Name |
6-(4-Bromophenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805483; BDBM50171508
Click to Show/Hide
|
||||
| Activity |
IC50 = 121700 nM
|
[11] | |||
| Compound Name |
2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Maybridge3_004013; Oprea1_459918; MLS000850593; Burnham Institute Compound 11; BI-9C6; CHEMBL193772; SCHEMBL3880831; BDBM10225; HMS1442G09; HMS2793O03; AKOS014686032; MCULE-3808231625; 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid; IDI1_015400; SMR000456611
Click to Show/Hide
|
||||
| Activity |
IC50 = 128000 nM
|
[14] | |||
| Compound Name |
2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Maybridge3_004099; Oprea1_776634; Burnham Institute Compound 7; BI-9C7; CHEMBL195076; BDBM10221; HMS1442K07; MCULE-2581910611; IDI1_015486
Click to Show/Hide
|
||||
| Activity |
IC50 = 129000 nM
|
[14] | |||
| Compound Name |
6-(3-Bromophenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805916; BDBM50171509
Click to Show/Hide
|
||||
| Activity |
IC50 = 129500 nM
|
[11] | |||
| Compound Name |
6-(2-Bromophenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805458; BDBM50171510
Click to Show/Hide
|
||||
| Activity |
IC50 = 132400 nM
|
[11] | |||
| Compound Name |
2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Bio5F2; Maybridge3_004143; Oprea1_701540; Burnham Institute Compound 3; BI-9C8; CHEMBL365119; BDBM10217; HMS1442M07; MCULE-3424746182; IDI1_015530
Click to Show/Hide
|
||||
| Activity |
IC50 = 133000 nM
|
[14] | |||
| Compound Name |
(S)-3-((S)-2-(Benzyloxycarbonylamino)-3-methylbutanamido)-5-(methylsulfonyl)pent-4-enoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1242699; SCHEMBL7884555; BDBM160794; BDBM50326094; US9045524, 61
Click to Show/Hide
|
||||
| Activity |
IC50 = 133400 nM
|
[17] | |||
| Compound Name |
1-[(2,3-Dioxo-1H-indol-5-yl)sulfonyl]-N-phenylpyrrolidine-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL64730; SCHEMBL6535351
Click to Show/Hide
|
||||
| Activity |
IC50 = 140000 nM
|
[4] | |||
| Compound Name |
[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BI-9C2; Oprea1_649863; Burnham Institute Compound 10; CHEMBL194103; SCHEMBL3537780; BDBM10224; 4-{[2-(2,3-dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl]carbonyl}morpholine
Click to Show/Hide
|
||||
| Activity |
IC50 = 150000 nM
|
[14] | |||
| Compound Name |
(S)-3-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-5-(methylsulfonyl)pent-4-enoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1242422; BDBM50326101
Click to Show/Hide
|
||||
| Activity |
IC50 = 163200 nM
|
[17] | |||
| Compound Name |
8-Mercaptocaffeine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CAFFEINE, 8-MERCAPTO-; 1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-1,3,7-trimethyl-8-thioxo-; CHEMBL4092935; NSC11258; 8-Mercapto-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione; 1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione; SCHEMBL9123418; CTK4D7186; CTK8D6946; DTXSID90170761; BDBM50240932; NSC-11258; AKOS000291422; ZINC100316548; MCULE-4110501571; ST50274560; SR-01000418040; SR-01000418040-1; 1,3,7-trimethyl-8-sulfanyl-1,3,7-trihydropurine-2,6-dione
Click to Show/Hide
|
||||
| Activity |
IC50 = 184700 nM
|
[21] | |||
| Compound Name |
(S)-3-((2S,3S)-2-(Benzyloxycarbonylamino)-3-methylpentanamido)-5-(phenylsulfonyl)pent-4-enoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1242610; BDBM50326093
Click to Show/Hide
|
||||
| Activity |
IC50 = 185400 nM
|
[17] | |||
| Compound Name |
Berkedrimane A
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2011679; Rel-Berkedrimane A; BDBM50379299
Click to Show/Hide
|
||||
| Activity |
IC50 = 200000 nM
|
[10] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 67 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Chembl4129140
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL3709928; BDBM50271098; 3-acetyl-2-(4-bromophenyl)-1-[2-(3,4-dichlorophenyl)ethyl]-4-hydroxy-2H-pyrrol-5-one
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[22] | |||
| Compound Name |
2-(2,3-Dihydro-1,4-benzodioxin-2-YL)-1,3-thiazole-4-carboxylic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazole-4-carboxylic acid; Maybridge3_004185; Oprea1_735244; Burnham Institute Compound 6; BI-9C1; CHEMBL194183; SCHEMBL3875594; BDBM10220; CTK0H3955; DTXSID50384887; HMS1442O05; AKOS014686734; IDI1_015572; FT-0608390; 2-(2,3-Dihydro-benzo[1,4]dioxin-2-yl)-thiazole-4-carboxylic acid; 4-Thiazolecarboxylicacid, 2-(2,3-dihydro-1,4-benzodioxin-2-yl)-
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[14] | |||
| Compound Name |
1-Benzyl-3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4074941; 1-benzyl-8-mercapto-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione; SCHEMBL17165784; ZINC7425816; BDBM50240931; AKOS000291420; MCULE-8278247595; VU0607699-1; F3260-0165
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[21] | |||
| Compound Name |
(3S)-4-Oxo-3-(pyridin-4-ylformamido)butanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
aspartyl aldehyde 7; CHEMBL67956; BDBM10560
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[13] | |||
| Compound Name |
1-Ethyl-8-mercapto-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4093898; SCHEMBL17165772; BDBM50240930; AKOS024481695; MCULE-4439529883; VU0607990-1; F3260-0907; 1-ethyl-3,7-dimethyl-8-sulfanylidene-9H-purine-2,6-dione
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[21] | |||
| Compound Name |
N-(2-Hydroxy-1-methylindol-3-yl)imino-2-methyl-6-(4-nitrophenyl)pyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805231; BDBM50171501
Click to Show/Hide
|
||||
| Activity |
IC50 = 202400 nM
|
[11] | |||
| Compound Name |
(S)-3-(((9H-Fluoren-9-yl)methoxy)carbonylamino)-5-(phenylsulfonyl)pent-4-enoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1242421; BDBM50326100
Click to Show/Hide
|
||||
| Activity |
IC50 = 228000 nM
|
[17] | |||
| Compound Name |
N-(2-Hydroxy-1-methylindol-3-yl)imino-2-methyl-6-(3-nitrophenyl)pyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3804942; BDBM50171502
Click to Show/Hide
|
||||
| Activity |
IC50 = 278200 nM
|
[11] | |||
| Compound Name |
N-(2-Hydroxy-1-methylindol-3-yl)imino-2-methyl-6-(2-nitrophenyl)pyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805109; BDBM50171503
Click to Show/Hide
|
||||
| Activity |
IC50 = 296500 nM
|
[11] | |||
| Compound Name |
N-(2-Hydroxy-1-methylindol-3-yl)imino-2-methyl-6-(3-methylphenyl)pyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805593; BDBM50171530
Click to Show/Hide
|
||||
| Activity |
IC50 = 310000 nM
|
[11] | |||
| Compound Name |
(S)-3-((S)-2-(Benzyloxycarbonylamino)propanamido)-5-(phenylsulfonyl)pent-4-enoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1242513; BDBM50326102
Click to Show/Hide
|
||||
| Activity |
IC50 = 343000 nM
|
[17] | |||
| Compound Name |
N-(2-Hydroxy-1-methylindol-3-yl)imino-2-methyl-6-(2-methylphenyl)pyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805833; BDBM50171531
Click to Show/Hide
|
||||
| Activity |
IC50 = 350600 nM
|
[11] | |||
| Compound Name |
N-(2-Hydroxy-1-methylindol-3-yl)imino-2-methyl-6-(4-methylphenyl)pyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3806253; BDBM50171529
Click to Show/Hide
|
||||
| Activity |
IC50 = 375300 nM
|
[11] | |||
| Compound Name |
(S)-3-((S)-2-(Benzyloxycarbonylamino)-3-methylbutanamido)-5-(phenylsulfonyl)pent-4-enoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1242514; BDBM50326103
Click to Show/Hide
|
||||
| Activity |
IC50 = 387900 nM
|
[17] | |||
| Compound Name |
(S)-3-(Benzyloxycarbonylamino)-5-(methylsulfonyl)pent-4-enoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1242329; BDBM50326099
Click to Show/Hide
|
||||
| Activity |
IC50 = 434600 nM
|
[17] | |||
| Compound Name |
(S)-3-(Benzyloxycarbonylamino)-5-(phenylsulfonyl)pent-4-enoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1242328; BDBM50326098
Click to Show/Hide
|
||||
| Activity |
IC50 = 453000 nM
|
[17] | |||
| Compound Name |
N-(2-Hydroxy-1-methylindol-3-yl)imino-2-methyl-6-phenylpyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805818; BDBM50171500
Click to Show/Hide
|
||||
| Activity |
IC50 = 456100 nM
|
[11] | |||
| Compound Name |
N-(2-Hydroxy-1-methylindol-3-yl)imino-6-(4-methoxyphenyl)-2-methylpyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805972; BDBM50171532
Click to Show/Hide
|
||||
| Activity |
IC50 = 487200 nM
|
[11] | |||
| Compound Name |
5-[(2S,4S)-4-Methoxy-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391853; BDBM50435985
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[18] | |||
| Compound Name |
5-[(2S,5R)-2,5-Bis(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-(4-fluorobutyl)indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391978; BDBM50435966
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[18] | |||
| Compound Name |
5-[(2R,5S)-2,5-Bis(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391976; BDBM50435968
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[18] | |||
| Compound Name |
5-[(2S,5S)-2,5-Bis(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391979; BDBM50435965
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[18] | |||
| Compound Name |
5-[(2S,4R)-4-Methoxy-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391850; BDBM50435988
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[18] | |||
| Compound Name |
5-[(2S,4R)-2-(Methoxymethyl)-4-(trifluoromethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391859; BDBM50435979
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[18] | |||
| Compound Name |
7-Chloro-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3359198; BDBM50031606
Click to Show/Hide
|
||||
| Activity |
IC50 = 500000 nM
|
[23] | |||
| Compound Name |
5-[(2S,4S)-4-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391857; BDBM50435981
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[18] | |||
| Compound Name |
7-Fluoro-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3359201; BDBM50031609
Click to Show/Hide
|
||||
| Activity |
IC50 = 500000 nM
|
[23] | |||
| Compound Name |
5-[(2R,5S)-2,5-Bis(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1-butylindole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391977; BDBM50435967
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[18] | |||
| Compound Name |
7-Bromo-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3359190; BDBM50031598
Click to Show/Hide
|
||||
| Activity |
IC50 = 500000 nM
|
[23] | |||
| Compound Name |
5-[(2S,4R)-4-[2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391856; BDBM50435982
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[18] | |||
| Compound Name |
1-Butyl-5-[(2S,4S)-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2391858; BDBM50435980
Click to Show/Hide
|
||||
| Activity |
IC50 > 500000 nM
|
[18] | |||
| Compound Name |
7-Iodo-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3359182; BDBM50031590
Click to Show/Hide
|
||||
| Activity |
IC50 = 500000 nM
|
[23] | |||
| Compound Name |
N-(2-Hydroxy-1-methylindol-3-yl)imino-6-(3-methoxyphenyl)-2-methylpyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805517; BDBM50171533
Click to Show/Hide
|
||||
| Activity |
IC50 = 547000 nM
|
[11] | |||
| Compound Name |
N-(2-Hydroxy-1-methylindol-3-yl)imino-6-(2-methoxyphenyl)-2-methylpyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805045; BDBM50171563
Click to Show/Hide
|
||||
| Activity |
IC50 = 551500 nM
|
[11] | |||
| Compound Name |
6-(3,4-Dimethoxyphenyl)-N-(2-hydroxy-1-methylindol-3-yl)imino-2-methylpyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805555; BDBM50171564
Click to Show/Hide
|
||||
| Activity |
IC50 = 598600 nM
|
[11] | |||
| Compound Name |
(S)-3-((S)-2-(Benzyloxycarbonylamino)propanamido)-5-(methylsulfonyl)pent-4-enoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1242611; BDBM50326104
Click to Show/Hide
|
||||
| Activity |
IC50 = 655800 nM
|
[17] | |||
| Compound Name |
N-(2-Hydroxy-1-methylindol-3-yl)imino-2-methyl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3805679; BDBM50171565
Click to Show/Hide
|
||||
| Activity |
IC50 = 674300 nM
|
[11] | |||
| Compound Name |
(4S)-4,8-Dihydroxy-3,4-dihydro-2H-naphthalen-1-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Isosclerone; CHEMBL3318321; (-)-Regiolone; SCHEMBL6281138; (4s)-4,8-dihydroxy-1-tetralone; (4S)-4,8-dihydroxytetralin-1-one; BDBM50049521; ZINC13460027; (S)-4,8-Dihydroxy-3,4-dihydronaphthalen-1(2H)-one
Click to Show/Hide
|
||||
| Activity |
Ki = 732120 nM
|
[24] | |||
| Compound Name |
1-Methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1h-indole-2,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL293034; (s)-1-methyl-5-[1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl]isatin; (S)-1-Methyl-5-{1-[2-(phenoxymethyl)pyrrolidinyl]sulfonyl}isatin; Isatin Sulfonamide 31; SCHEMBL4156846; Pyrrolidine Isatin Analogue 11a; BDBM10320; DB08213; Q27097439; (S)-1-methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione; 1-Methyl-5-[[(2S)-2-(phenoxymethyl)pyrrolizino]sulfonyl]indoline-2,3-dione
Click to Show/Hide
|
||||
| Activity |
IC50 = 840000 nM
|
[4] | |||
| Compound Name |
Ethyl (2R,3R)-3-[[(1-acetylpyrrolidine-2-carbonyl)amino]-(2-amino-2-oxoethyl)carbamoyl]oxirane-2-carboxylate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4111487; BDBM228616; US9345789, LI-1
Click to Show/Hide
|
||||
| Activity |
IC50 = 890000 nM
|
[25] | |||
| Compound Name |
(2E)-3-[(4-Methoxyphenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL371844; BI-9C12; ZINC9087772; STK834813; AKOS005623835; SR-01000215094; SR-01000215094-1
Click to Show/Hide
|
||||
| Activity |
IC50 > 1000000 nM
|
[14] | |||
| Compound Name |
2-Hydroxy-5-methylsulfamoyl-benzoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL115512; 2-Hydroxy-5-(methylsulfamoyl)benzoic acid; SCHEMBL2825786; BDBM50149213; AKOS002682652; DB-104644; BB 0237889
Click to Show/Hide
|
||||
| Activity |
Ki > 1000000 nM
|
[9] | |||
| Compound Name |
4-Methyl-8-morpholin-4-ylsulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)cyclopenta[c]quinoline-1,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260884; BDBM50487404
Click to Show/Hide
|
||||
| Activity |
IC50 = 3999447.5 nM
|
[26] | |||
| Compound Name |
4-Methyl-2-(2-methylphenyl)-8-morpholin-4-ylsulfonylcyclopenta[c]quinoline-1,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260690; BDBM50487390
Click to Show/Hide
|
||||
| Activity |
IC50 = 14996848.36 nM
|
[26] | |||
| Compound Name |
8-Fluoro-4-methylcyclopenta[c]quinoline-1,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260886; BDBM50487399
Click to Show/Hide
|
||||
| Activity |
IC50 = 15922087.27 nM
|
[26] | |||
| Compound Name |
4-Methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)cyclopenta[c]quinoline-8-carbonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260885; BDBM50487408
Click to Show/Hide
|
||||
| Activity |
IC50 = 15995580.29 nM
|
[26] | |||
| Compound Name |
Methyl 2-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxocyclopenta[c]quinolin-2-yl)acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260683; BDBM50487394
Click to Show/Hide
|
||||
| Activity |
IC50 = 15995580.29 nM
|
[26] | |||
| Compound Name |
N-(2-Hydroxyethyl)-4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)cyclopenta[c]quinoline-8-sulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260693; BDBM50487402
Click to Show/Hide
|
||||
| Activity |
IC50 = 19998618.7 nM
|
[26] | |||
| Compound Name |
N-(2-Methoxyethyl)-4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)cyclopenta[c]quinoline-8-sulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260694; BDBM50487401
Click to Show/Hide
|
||||
| Activity |
IC50 = 20989398.84 nM
|
[26] | |||
| Compound Name |
Methyl 2-[[4-methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)cyclopenta[c]quinolin-8-yl]sulfonylamino]-3-phenylpropanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260882; BDBM50487400
Click to Show/Hide
|
||||
| Activity |
IC50 = 23014418.17 nM
|
[26] | |||
| Compound Name |
8-Bromo-4-methylcyclopenta[c]quinoline-1,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260887; BDBM50487409
Click to Show/Hide
|
||||
| Activity |
IC50 = 26977394.32 nM
|
[26] | |||
| Compound Name |
4-Methyl-1,3-dioxo-2-(1,3,5-trimethylpyrazol-4-yl)cyclopenta[c]quinoline-8-sulfonamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260692; BDBM50487405
Click to Show/Hide
|
||||
| Activity |
IC50 = 33036954.1 nM
|
[26] | |||
| Compound Name |
Methyl 3-(4-methyl-8-morpholin-4-ylsulfonyl-1,3-dioxocyclopenta[c]quinolin-2-yl)propanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260687; BDBM50487391
Click to Show/Hide
|
||||
| Activity |
IC50 = 36982817.98 nM
|
[26] | |||
| Compound Name |
Methyl 3-(4-methyl-1,3-dioxocyclopenta[c]quinolin-2-yl)propanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260684; BDBM50487393
Click to Show/Hide
|
||||
| Activity |
IC50 = 42953642.68 nM
|
[26] | |||
| Compound Name |
2,4-Dimethyl-8-morpholin-4-ylsulfonylcyclopenta[c]quinoline-1,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260891; BDBM50487396
Click to Show/Hide
|
||||
| Activity |
IC50 = 43954161.54 nM
|
[26] | |||
| Compound Name |
4-Methyl-8-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-2-(1,3,5-trimethylpyrazol-4-yl)cyclopenta[c]quinoline-1,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260883; BDBM50487388
Click to Show/Hide
|
||||
| Activity |
IC50 = 54954087.39 nM
|
[26] | |||
| Compound Name |
4-Methyl-2-(2-methylphenyl)cyclopenta[c]quinoline-1,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260688; BDBM50487403
Click to Show/Hide
|
||||
| Activity |
IC50 = 123310483.3 nM
|
[26] | |||
| Compound Name |
2,4-Dimethylcyclopenta[c]quinoline-1,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260889; BDBM50487398
Click to Show/Hide
|
||||
| Activity |
IC50 = 157398286.5 nM
|
[26] | |||
| Compound Name |
Methyl 3-(8-fluoro-4-methyl-1,3-dioxocyclopenta[c]quinolin-2-yl)propanoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260685; BDBM50487392
Click to Show/Hide
|
||||
| Activity |
IC50 = 181970085.9 nM
|
[26] | |||
| Compound Name |
4-Methyl-8-morpholin-4-ylsulfonylcyclopenta[c]quinoline-1,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260888; BDBM50487387
Click to Show/Hide
|
||||
| Activity |
IC50 = 209893988.4 nM
|
[26] | |||
| Compound Name |
Methyl 2-(4-methyl-1,3-dioxocyclopenta[c]quinolin-2-yl)acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260680; BDBM50487386
Click to Show/Hide
|
||||
| Activity |
IC50 = 215278173.5 nM
|
[26] | |||
| Compound Name |
8-Bromo-4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)cyclopenta[c]quinoline-1,3-dione
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260691; BDBM50487389
Click to Show/Hide
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| Activity |
IC50 = 359749335.2 nM
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[26] | |||
| Compound Name |
8-Bromo-4-methyl-2-(2-methylphenyl)cyclopenta[c]quinoline-1,3-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260689; BDBM50487385
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| Activity |
IC50 = 393550075.5 nM
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[26] | |||
| Compound Name |
Methyl 2-(8-fluoro-4-methyl-1,3-dioxocyclopenta[c]quinolin-2-yl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260681; BDBM50487407
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| Activity |
IC50 = 399944749.8 nM
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[26] | |||
| Compound Name |
Methyl 2-(8-bromo-4-methyl-1,3-dioxocyclopenta[c]quinolin-2-yl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260682; BDBM50487395
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| Activity |
IC50 = 460256573.6 nM
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[26] | |||
| Compound Name |
8-Bromo-2,4-dimethylcyclopenta[c]quinoline-1,3-dione
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260890; BDBM50487397
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| Activity |
IC50 = 632411851.4 nM
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[26] | |||
| Compound Name |
Methyl 3-(8-bromo-4-methyl-1,3-dioxocyclopenta[c]quinolin-2-yl)propanoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2260686; BDBM50487406
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| Activity |
IC50 = 926829823.4 nM
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[26] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
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| REF 1 | Small-molecule activation of procaspase-3 to caspase-3 as a personalized anticancer strategy. Nat Chem Biol. 2006 Oct;2(10):543-50. | ||||
| REF 2 | Design, synthesis, biological evaluation and docking studies of sulfonyl isatin derivatives as monoamine oxidase and caspase-3 inhibitors. Medchemcomm. 2016;7:1628-39. | ||||
| REF 3 | Peptidyl beta-homo-aspartals: specific inhibitors of interleukin-1 beta converting enzyme and its homologues (caspases). Bioorg Med Chem Lett. 1998 Jun 16;8(12):1477-82. | ||||
| REF 4 | Potent and selective nonpeptide inhibitors of caspases 3 and 7. J Med Chem. 2001 Jun 7;44(12):2015-26. | ||||
| REF 5 | Mechanisms, biology and inhibitors of deubiquitinating enzymes. Nat Chem Biol. 2007 Nov;3(11):697-705. | ||||
| REF 6 | Development of a potent and selective cell penetrant Legumain inhibitor. Bioorg Med Chem Lett. 2015 Dec 1;25(23):5642-5. | ||||
| REF 7 | Discovery and structure-activity relationship of potent and selective covalent inhibitors of transglutaminase 2 for Huntington's disease. J Med Chem. 2012 Feb 9;55(3):1021-46. | ||||
| REF 8 | Exploiting differences in caspase-2 and -3 S1 subsites for selectivity: structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors. Bioorg Med Chem. 2011 Oct 1;19(19):5833-51. | ||||
| REF 9 | Fragment-based drug discovery. J Med Chem. 2004 Jul 1;47(14):3463-82. | ||||
| REF 10 | Caspase-1 and -3 inhibiting drimane sesquiterpenoids from the extremophilic fungus Penicillium solitum. J Nat Prod. 2012 Feb 24;75(2):262-6. | ||||
| REF 11 | Protective effect of novel substituted nicotine hydrazide analogues against hypoxic brain injury in neonatal rats via inhibition of caspase. Bioorg Med Chem Lett. 2016 Jul 1;26(13):3195-3201. | ||||
| REF 12 | Conformationally constrained inhibitors of caspase-1 (interleukin-1 beta converting enzyme) and of the human CED-3 homologue caspase-3 (CPP32, apopain). Bioorg Med Chem Lett. 1998 Oct 6;8(19):2757-62. | ||||
| REF 13 | Nicotinyl aspartyl ketones as inhibitors of caspase-3. Bioorg Med Chem Lett. 2003 Jul 7;13(13):2137-40. | ||||
| REF 14 | Discovery of a novel class of reversible non-peptide caspase inhibitors via a structure-based approach. J Med Chem. 2005 Mar 10;48(5):1649-56. | ||||
| REF 15 | Fluorinated isatin derivatives. Part 1: synthesis of new N-substituted (S)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatins as potent caspase-3 and -7 inhibitors. Bioorg Med Chem. 2009 Apr 1;17(7):2680-8. | ||||
| REF 16 | 1,3-Dioxo-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]quinolines as potent caspase-3 inhibitors. Bioorg Med Chem Lett. 2005 Apr 1;15(7):1841-5. | ||||
| REF 17 | Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study. Eur J Med Chem. 2010 Sep;45(9):3858-63. | ||||
| REF 18 | Influence of 4- or 5-substituents on the pyrrolidine ring of 5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin derivatives on their inhibitory activities towards caspases-3 and -7. Eur J Med Chem. 2013 Jun;64:562-78. | ||||
| REF 19 | Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors. Bioorg Med Chem. 2013 Jun 1;21(11):2960-7. | ||||
| REF 20 | Irreversible inhibitors of cysteine proteases. ACS Med Chem Lett. 2013 Jan 28;4(2):163-4. | ||||
| REF 21 | Blockade of Asparagine Endopeptidase Inhibits Cancer Metastasis. J Med Chem. 2017 Sep 14;60(17):7244-7255. | ||||
| REF 22 | Chemical Approaches to Intervening in Ubiquitin Specific Protease 7 (USP7) Function for Oncology and Immune Oncology Therapies. J Med Chem. 2018 Jan 25;61(2):422-443. | ||||
| REF 23 | Synthesis of 7-halogenated isatin sulfonamides: nonradioactive counterparts of caspase-3/-7 inhibitor-based potential radiopharmaceuticals for molecular imaging of apoptosis. J Med Chem. 2014 Nov 26;57(22):9383-95. | ||||
| REF 24 | In vitro induction of apoptosis by isosclerone from marine-derived fungus Aspergillus fumigatus. Bioorg Med Chem Lett. 2014 Aug 15;24(16):3923-7. | ||||
| REF 25 | US patent application no. 9345789B2, Specific inhibitors and active site probes for legumain | ||||
| REF 26 | QSAR study of 1,3-dioxo-4-methyl-2,3-dihydro-1h-pyrrolo[3,4-c]quinolines as caspase-3 inhibitors. Med Chem Res. 2007 Dec 21;17:399-411. | ||||
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