Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T11211 | Target Info | |||
| Target Name | Androgen receptor (AR) | ||||
| Synonyms |
Testosterone receptor; Nuclear receptor subfamily 3 group C member 4; NR3C4; Dihydrotestosterone receptor; DHTR
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| Target Type | Successful Target | ||||
| Gene Name | AR | ||||
| Biochemical Class | Nuclear hormone receptor | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 26 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Liothyronine
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Approved | Compound Info | ||
| Synonyms |
liothyronine; 3,3',5-Triiodo-L-thyronine; 6893/2/3; Liothyronin; Tresitope; 3,5,3'-triiodothyronine; L-Liothyronine; O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine; triothyrone; Liothyroninum; Liotironina; 3,5,3'-Triiodo-L-thyronine; L-T3; T3; 3,3',5-Triiodothyronine; Triiodo-L-thyronine; Lyothyronine; 3,5,3'TRIIODOTHYRONINE; L-3,5,3'-Triiodothyronine; (2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid; T3 (amino acid); T3 (Hormone); L-3,3',5-TriioDOThyronine; Liothyronine [INN:BAN]; Rathyronine; Triothyrone; THYROID HORMONE; Liothyronine I 131; Liothyronine I 131 [USAN]; T3 liothyronine; Cytomel (TN); Euthroid-1; Euthroid-2; Euthroid-3; Liothyronine (INN); Liothyroninum[INN-Latin]; Liotironina [INN-Spanish]; T3 (Triiodothyronine); T3 (VAN); Tertroxin (TN); Thyrolar-1; Thyrolar-2; Thyrolar-3; Tri-Thyrotope; Triiodothyronine (T3); Triomet-131; Euthroid-05; Thyrolar-025; Thyrolar-05; TRIIODOTHYRONINE (T3 OR LIOTHYRONINE, ACTIVE) (6-11%); Thyronine, 3,3',5-triiodo-, L-(6CI); L-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)alanine; L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-(9CI); 3,3'5-Triiodo-L-thyronine; 3,5,3'-Tri-iodo-L-thyronine; 4-(3-Iodo-4-hydroxyphenoxy)-3,5-diiodophenylalanine; 4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenylalanine; 4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
AZD9567
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Phase 1 | Compound Info | ||
| Synonyms |
ZQFNDBISEYQVRR-LOSJGSFVSA-N; AZD-9567; GTPL9812; SCHEMBL17643955; AZD 9567; example 1 [WO2016046260A1]; compound 15 [PMID: 29424542]; B9W; 2,2-difluoro-N-[(1R,2S)-3-methyl-1-[1-(1-methyl-6-oxopyridin-3-yl)indazol-5-yl]oxy-1-phenylbutan-2-yl]propanamide; 2,2-bis(fluoranyl)-~{N}-[(1~{R},2~{S})-3-methyl-1-[1-(1-methyl-6-oxidanylidene-pyridin-3-yl)indazol-5-yl]oxy-1-phenyl-butan-2-yl]propanamide
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| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
PMID26560530-Compound-24
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Patented | Compound Info | ||
| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
Ethyl (3aS,4S,9bS)-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1924001; BDBM50359008
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
7-Hydroxy-4-((6-methylpyridin-2-ylthio)methyl)-2H-chromen-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL589158; BDBM50305335; 4-[(6-Methyl-2-pyridylthio)methyl]-7-hydroxy-2H-1-benzopyran-2-one
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| Activity |
IC50 = 50000 nM
|
[3] | |||
| Compound Name |
3-[1-[2-(4-Methylphenoxy)ethyl]benzimidazol-2-yl]sulfanylpropanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1738937; 3-({1-[2-(4-methylphenoxy)ethyl]-1H-benzimidazol-2-yl}sulfanyl)propanoic acid; Oprea1_072283; Oprea1_159980; ZINC3877300; BDBM50359005; 3-[1-(2-p-Tolyloxy-ethyl)-1H-benzoimidazol-2-ylsulfanyl]-propionic acid; AKOS000544864; ZINC 03877300; MCULE-8738354759; UNM-0000305919; UNM000011074001; AG-690/11665301; Q27467778
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
3-[1-(2H-1,3-Benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1924003; ZINC3407861; BDBM50359011; AKOS033863268; NE60316; EN300-12312; SR-01000064750; SR-01000064750-1
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
2-[(5S)-9-Fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315062; BDBM50048340
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| Activity |
Ki ~ 50000 nM
|
[4] | |||
| Compound Name |
Methyl 4-[(3aR,4S,9bS)-8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1924000; BDBM50359007
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
3-((2,4-Dichlorophenylthio)Methyl)Benzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1923999; SCHEMBL22469767; ZINC3445992; BDBM50359004; AKOS001084424; MCULE-7812318862; NCGC00338493-01; AB01331390-02; 3-{[(2,4-dichlorophenyl)sulfanyl]methyl}benzoic acid; Z57044279
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
2-[2-(3,4-Dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-quinazolin-4-one
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Investigative | Compound Info | ||
| Synonyms |
MLS000089953; CHEMBL240331; SMR000024571; 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio}quinazolin-4(3H)-one; Oprea1_015593; Oprea1_495264; cid_706562; SCHEMBL13856739; BDBM39612; HMS2508O05; KUC104367N; BDBM50477608; CCG-19554; ZINC17889531; AKOS024284533; KSC-10-145; MCULE-9054227013; ST077207; EU-0043598; SR-01000481116; SR-01000481116-1; 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-1H-quinazolin-4-one; 1-(3,4-dihydroxyphenyl)-2-(4-hydroxyquinazolin-2-yl)sulfanyl-ethanone; 1-(3,4-dihydroxyphenyl)-2-(4-hydroxyquinazolin-2-ylthio)ethan-1-one; 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-1H-quinazolin-4-one; 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4(3H)-quinazolinone; Ethanone, 1-(3,4-dihydroxyphenyl)-2-[(4-hydroxy-2-quinazolinyl)thio]-
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| Activity |
IC50 = 50000 nM
|
[1] | |||
| Compound Name |
1-[2-(4-Methylphenoxy)ethyl]-2-(2-phenoxyethylsulfanyl)benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1738936; 1-[2-(4-methylphenoxy)ethyl]-2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazole; SCHEMBL18155144; ZINC2058890; BDBM50359006; AKOS000544965; ZINC 02058890; AG-690/11668234; Q27467777
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
(3As,4S,9bR)-4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1924002; ZINC1088536; BDBM50359009
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| Activity |
IC50 ~ 50000 nM
|
[1] | |||
| Compound Name |
N-Carbamoyl-2-[(5S)-9-fluoro-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methylpropanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3315061; BDBM50048339
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| Activity |
Ki ~ 50000 nM
|
[4] | |||
| Compound Name |
Ethyl 2-[2-[2-(3-ethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316570; BDBM50425768
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| Activity |
IC50 = 55000 nM
|
[5] | |||
| Compound Name |
(2S)-5-Amino-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-cyclohexylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3132997
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| Activity |
Ki = 56000 nM
|
[6] | |||
| Compound Name |
4-[(2,3,6-Trichlorophenyl)methyl]-2H-phthalazin-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3622590
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| Activity |
IC50 = 56700 nM
|
[7] | |||
| Compound Name |
4-[2-(1H-Benzimidazol-2-ylsulfanyl)ethoxy]benzenesulfonamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316545; ZINC7221767; BDBM50425737; AKOS001285816; MCULE-2596877549
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| Activity |
IC50 = 62000 nM
|
[5] | |||
| Compound Name |
N-[[(1R,4As,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-1-yl]methyl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3343778; BDBM50035571
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| Activity |
IC50 = 83800 nM
|
[8] | |||
| Compound Name |
Chembl4174074
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Investigative | Compound Info | ||
| Synonyms |
BDBM50297713
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| Activity |
IC50 = 83800 nM
|
[9] | |||
| Compound Name |
4-[(2,6-Dimethylphenyl)methyl]-2H-phthalazin-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3622587
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| Activity |
IC50 = 84300 nM
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[7] | |||
| Compound Name |
4-(2-Chlorobenzyl)phthalazin-1(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL378274; BDBM50183678; ZINC34821285; 4-[(2-chlorophenyl)methyl]-2H-phthalazin-1-one; 1(2H)-Phthalazinone, 4-[(2-chlorophenyl)methyl]-
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| Activity |
IC50 = 85400 nM
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[7] | |||
| Compound Name |
4-[(2-Nitrophenyl)methyl]-2H-phthalazin-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3622578
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Zingerone
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Investigative | Compound Info | ||
| Synonyms |
Vanillylacetone; 4-(4-Hydroxy-3-methoxyphenyl)butan-2-one; 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone; Zingiberone; Gingerone; Zingherone; Vanillyl acetone; 2-Butanone, 4-(4-hydroxy-3-methoxyphenyl)-; [0]-Paradol; 4-Hydroxy-3-methoxybenzylacetone; (4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone; 3-Methoxy-4-hydroxybenzylacetone; (0)-Paradol; 4-(3-Methoxy-4-hydroxyphenyl)-2-butanone; NSC 15335; 3-Methoxy-4-hydroxy-benzylacetone; 2-(4-Hydroxy-3-methoxyphenyl)ethyl methyl ketone; UNII-4MMW850892; Vanillylacetone;Gingerone; MFCD00048232; CHEMBL25894; 4-(4-hydroxy-3-methoxy-phenyl)-butan-2-one; 4MMW850892; (O)-Paradol; FEMA No. 3124; CCRIS 2036; HSDB 1064; EINECS 204-548-3; BRN 2051099; AI3-31837; [0]Paradol; ACMC-1CUL7; DSSTox_CID_27420; DSSTox_RID_82334; DSSTox_GSID_47420; 4-08-00-01866 (Beilstein Handbook Reference); SCHEMBL119051; Vanillylacetone, >=96%, FG; DTXSID8047420; CTK3J0216; FEMA 3124; HMS3651E22; ZINC526834; KS-00000C4E; NSC15335; Tox21_302493; ANW-17986; BDBM50304073; NSC-15335; s2371; SBB071427; STL564783; AKOS009462778; CCG-208511; DB15589; MCULE-3189604755; Vanillylacetone, >=98%, natural, FG; Zingerone, analytical reference material; NCGC00256663-01; AK164347; AS-65368; HY-14621; SC-19804; ST092341; SY017980; 4(4-Hydroxy-3-methoxyphenyl)-2-butanone; 4-(3-methoxy-4-hydroxyphenyl)butan-2-one; DB-003808; CS-0003480; FT-0616634; N2452; SW219618-1; Y0213; C17497; SR-05000013705; Q1064625; SR-05000013705-1; W-108429; 4-(4-Hydroxy-3-methoxyphenyl)-2-butanone, 9CI, 8CI
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| Activity |
IC50 = 151356.12 nM
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[10] | |||
| Compound Name |
[2-(2-p-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1539990; MLS001207500; SCHEMBL5120470; HMS2843G17; ZINC2056537; 2-[2-[2-(4-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid; BDBM50425767; STK364980; AKOS000598504; MCULE-8483957247; SMR000516313; AB00092669-01; SR-01000527329; SR-01000527329-1; (2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid; 2-(2-{[2-(4-methylphenoxy)ethyl]sulfanyl}-1H-1,3-benzimidazol-1-yl)acetic acid
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| Activity |
IC50 = 163800 nM
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[5] | |||
| Compound Name |
Click to Show/Hide
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Compound Info | |||
| Activity |
IC50 ~ 100000 nM
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[5] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 30 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Genistein
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Phase 2/3 | Compound Info | ||
| Synonyms |
Bonistein; GEN; Genestein; Genisteol; Genisterin; Prunetol; Sophoricol; Differenol A; G 6649; G10000; IN1327; NPI 031L; STO514; TNP00151; GENISTEIN (ENDOCRINE DISRUPTER); Lactoferrin-genistein; PTI G4660 (Genistein); PTI-G4660; SIPI 807-1; C.I. 75610; SIPI-9764-I; ENDOCRINE DISRUPTOR (GENISTEIN) (SEE ALSO GENISTEIN (446-72-0)); 4 inverted exclamation marka,5,7-Trihydroxyisoflavone; ,5,7-Trihydroxyisoflavone; 4',5, 7-Trihydroxyisoflavone; 4',5,7-Trihydroxy isoflavone; 4',5,7-Trihydroxyisoflavone; 4,5,7-Trihydroxyiso-flavone; 4,6,7-Trihydroxyisoflavone; 5,7,4'-Trihydroxyisoflavone; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone; 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one; 5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
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| Activity |
IC50 = 1300000 nM
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[11] | |||
| Compound Name |
biochanin A
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Investigative | Compound Info | ||
| Synonyms |
Biochanin A; 491-80-5; Biochanin; 4'-Methylgenistein; 5,7-Dihydroxy-4'-methoxyisoflavone; 5,7-Dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one; Genistein 4-methyl ether; 5,7-Dihydrox -4'-methoxyisoflavone; Biochanine A; 4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-; olmelin; Pratensol; NSC 123538; Biochanin-A; 5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one; 4-Methylgenistein; C16H12O5; UNII-U13J6U390T; CCRIS 5449; 5,7-Dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one; EINECS 207-744-7; NSC123538; Genistein 4'-methyl ether; 4'-methylgenistein; BIOCHANIN
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| Activity |
IC50 = 1600000 nM
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[11] | |||
| Compound Name |
3-[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid
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Investigative | Compound Info | ||
| Synonyms |
MLS001205081; SMR000516311; 3-(2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)propanoic acid; CHEMBL1721724; BDBM79904; cid_2772726; HMS2823M20; REGID_FOR_CID_2772726; STK364981; ZINC12462860; 3-[2-[2-(3-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid; AKOS000598474; MCULE-9659891128; EU-0001576; AG-670/36930007; SR-01000400641; SR-01000400641-1; 3-[2-[2-(3-methylphenoxy)ethylthio]-1-benzimidazolyl]propanoic acid; 3-[2-[2-(3-methylphenoxy)ethylthio]benzimidazol-1-yl]propionic acid
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| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
3-[2-(2-p-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1312729; MLS001211437; HMS1608M22; HMS1917M02; HMS2836F22; ZINC3876921; BDBM50425761; AKOS000544736; MCULE-4531105802; NCGC00141043-01; SMR000514459
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| Activity |
IC50 > 200000 nM
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[5] | |||
| Compound Name |
2-(3-Phenoxypropyl)-1H-benzimidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316557; BDBM50425748
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| Activity |
IC50 > 200000 nM
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[5] | |||
| Compound Name |
Ethyl (2-{[2-(3,5-dimethylphenoxy)ethyl]thio}-1H-benzimidazol-1-yl)acetate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316573; BDBM50425763; ZINC15833431; MCULE-5660086494
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| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
[2-(1-Prop-2-enylbenzimidazol-2-ylthio)ethoxy]benzene
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316555; 1-allyl-2-((2-phenoxyethyl)thio)-1H-benzo[d]imidazole; ZINC3108080; BDBM50425750; SBB044659; STK914227; AKOS000274867; CCG-153555; MCULE-7028793724; ST50498864; 1-allyl-2-[(2-phenoxyethyl)thio]-1H-benzimidazole; F0037-1055; Z1006750972; 2-[(2-phenoxyethyl)sulfanyl]-1-(prop-2-en-1-yl)-1H-benzimidazole; 2-[(2-phenoxyethyl)sulfanyl]-1-(prop-2-en-1-yl)-1H-1,3-benzodiazole
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| Activity |
IC50 > 200000 nM
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[5] | |||
| Compound Name |
2-((3-Phenoxypropyl)thio)-1H-benzo[d]imidazole
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316537; ZINC1926969; BDBM50425743; STK738169; AKOS000586758; MCULE-4243447427; (3-benzimidazol-2-ylthiopropoxy)benzene; ST4080280; 1H-Benzoimidazole, 2-(3-phenoxypropylsulfanyl)-; 2-[(3-phenoxypropyl)sulfanyl]-1H-benzimidazole; 2-[(3-phenoxypropyl)sulfanyl]-1H-1,3-benzimidazole; F1115-0114
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| Activity |
IC50 > 200000 nM
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[5] | |||
| Compound Name |
2-{2-[2-(3-Methylphenoxy)ethylthio]benzimidazolyl}-1-morpholin-4-ylethan-1-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1474103; HMS1855I05; ZINC8586867; BDBM50425766; STL450802; AKOS001361642; MCULE-5697533288; NCGC00119269-01; ST50770560; D347-0355
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| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
2-[2-[2-(3-Tert-butylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316551; BDBM50425755
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
Methyl 2-[2-[2-(3-ethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316571; BDBM50425765
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
Methyl 2-[2-[2-(3-prop-2-enylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316552; BDBM50425754
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
3-[2-[2-(3-Ethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316553; BDBM50425753
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
2-(2-Phenoxyethylsulfonyl)-1H-benzimidazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1535354; 2-[(2-phenoxyethyl)sulfonyl]benzimidazole; 2-[(2-phenoxyethyl)sulfonyl]-1H-benzimidazole; 2-(2-Phenoxy-ethanesulfonyl)-1H-benzoimidazole; Oprea1_212052; MLS000062739; SCHEMBL12214433; CTK7I2112; HMS2377G19; ZINC122426; BDBM50425746; CCG-19825; STK767481; AKOS000543288; MCULE-8443321260; SMR000071276; ST028295; 1H-Benzimidazol-2-yl 2-phenoxyethyl sulfone; 1H-Benzimidazol-2-yl 2-phenoxyethyl sulfone #; 1h-benzimidazole, 2-[(2-phenoxyethyl)sulfonyl]-; AG-670/40829121; SR-01000485469; SR-01000485469-1; Q27210492
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
N-[2-(1H-Benzimidazol-2-ylsulfanyl)ethyl]aniline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316536; BDBM50425744
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
2-(2-Phenoxyethylsulfinyl)-1H-benzimidazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316558; BDBM50425747
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
2-[2-[2-(3-Ethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316574; BDBM50425762
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
2-{2-[2-(2,5-Dimethylphenoxy)ethylthio]benzimidazolyl}acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316550; BDBM50425756; SBB044721; ZINC12627916; AKOS000274780; MCULE-1099099609; UNM-0000305988; ST50784573; UNM000011080901; (2-{[2-(2,5-dimethylphenoxy)ethyl]thio}-1H-benzimidazol-1-yl)acetic acid
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
2-[2-(2-Phenoxyethylthio)benzimidazolyl]ethan-1-ol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1504501; CBKinase1_000481; CBKinase1_012881; MLS000532691; SCHEMBL12195218; 2-[2-(2-Phenoxy-ethylsulfanyl)-benzoimidazol-1-yl]-ethanol; HMS1578M10; HMS2469K09; ZINC2496502; BDBM50425751; AKOS000296976; MCULE-8904061849; SMR000140133; ST50995557; AR-422/40056051; SR-01000393942; SR-01000393942-1; BRD-K03411215-001-01-0; 2-{2-[(2-phenoxyethyl)thio]-1H-benzimidazol-1-yl}ethanol; 2-{2-[(2-phenoxyethyl)sulfanyl]-1H-benzimidazol-1-yl}ethanol
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
[2-(2-m-Tolyloxy-ethylsulfanyl)-benzoimidazol-1-yl]-acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1409155; (2-([2-(3-Methylphenoxy)ethyl]thio)-1h-benzimidazol-1-yl)acetic acid; 2-{2-[2-(3-methylphenoxy)ethylthio]benzimidazolyl}acetic acid; CBMicro_022579; MLS001210412; SCHEMBL5113732; HMS2829N20; CCG-9529; ZINC2051954; 2-[2-[2-(3-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid; BDBM50425758; SBB044850; STK373785; AKOS000275156; MCULE-7562577037; SMR000514145; BIM-0022470.P001; ST50784589; AB00086999-01; SR-01000397829; SR-01000397829-1; (2-{[2-(3-methylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid; 2-(2-(2-(m-tolyloxy)ethylthio)-1H-benzo[d]imidazol-1-yl)acetic acid
Click to Show/Hide
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||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
2-(2-Phenoxyethylsulfanyl)-1,3-benzoxazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SMR000103830; MLS000107866; CBMicro_013912; CHEMBL1330717; BDBM62850; cid_2258754; HMS1694C03; HMS2495F20; SMSF0006954; ZINC2920634; (2-benzoxazol-2-ylthioethoxy)benzene; AKOS000544670; CB08835; MCULE-5173588643; 2-(2-phenoxyethylthio)-1,3-benzoxazole; BIM-0014065.P001; ST50233139; SR-01000402328; SR-01000402328-1
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
2-[2-[2-(3,4-Dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1445673; (2-([2-(3,4-Dimethylphenoxy)ethyl]thio)-1H-benzimidazol-1-yl)acetic acid; (2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid; ChemDiv1_000413; MLS001212806; SCHEMBL5120282; HMS588C17; HMS2837D04; ZINC2051955; BDBM50425759; STK364976; {2-[2-(3,4-Dimethyl-phenoxy)-ethylsulfanyl]-benzoimidazol-1-yl}-acetic acid; AKOS000541559; MCULE-6530812738; SMR000514149; ST50871409; SR-01000397830; SR-01000397830-1; 2-{2-[2-(3,4-dimethylphenoxy)ethylthio]benzimidazolyl}acetic acid; 2-(2-(2-(3,4-dimethylphenoxy)ethylthio)-1H-benzo[d]imidazol-1-yl)acetic acid
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
Methyl 2-{2-[2-(3,4-dimethylphenoxy)ethylthio]benzimidazolyl}acetate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316572; BDBM50425764; SBB044768; STL450753; ZINC11667113; AKOS000275172; MCULE-9987415389; ST50498946; F3320-0511; methyl (2-{[2-(3,4-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetate; methyl (2-{[2-(3,4-dimethylphenoxy)ethyl]thio}-1H-benzimidazol-1-yl)acetate
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
2-[2-(3-Methylphenoxy)ethylsulfanyl]-1-(2-phenoxyethyl)benzimidazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316575; BDBM50425760
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
3-[2-(2-Phenoxy-ethylsulfanyl)-benzoimidazol-1-yl]-propionic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
MLS001207794; SMR000514147; 3-(2-[(2-Phenoxyethyl)thio]-1H-benzimidazol-1-yl)propanoic acid; ChemDiv3_000691; CHEMBL1702133; BDBM79905; cid_2772722; 3-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]propanoic acid; HMS1474P09; HMS2824G17; REGID_FOR_CID_2772722; AKOS000541946; ZINC169336660; MCULE-2830520142; EU-0034730; ST50230199; SR-01000400150; SR-01000400150-1; BRD-K70468885-001-01-7; 3-[2-(2-phenoxyethylthio)benzimidazolyl]propanoic acid; 3-[2-(2-phenoxyethylthio)-1-benzimidazolyl]propanoic acid; 3-[2-(2-phenoxyethylthio)benzimidazol-1-yl]propionic acid; 3-(2-(2-phenoxyethylthio)-1H-benzo[d]imidazol-1-yl)propanoic acid
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
N,N-Diethyl-2-{2-[2-(3-methylphenoxy)ethylthio]benzimidazolyl}acetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316548; BDBM50425757; SBB044852; STL450796; ZINC12062363; AKOS000275165; MCULE-8894757826; ST50499012
Click to Show/Hide
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||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
N-(2-Phenoxyethyl)-1H-benzimidazol-2-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2316556; BDBM50425749; AKOS006029299
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
2-{2-[2-(3,5-Dimethylphenoxy)ethylthio]benzimidazolyl}acetic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
UNM000011081001; CHEMBL2316549; BDBM43281; cid_17028025; SBB044822; ZINC12627863; AKOS000275200; MCULE-3480227515; UNM-0000305989; ST50784586; (2-{[2-(3,5-dimethylphenoxy)ethyl]thio}-1H-benzimidazol-1-yl)acetic acid; 2-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid; 2-[2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanoic acid; 2-[2-[2-(3,5-dimethylphenoxy)ethylthio]-1-benzimidazolyl]acetic acid; 2-[2-[2-(3,5-dimethylphenoxy)ethylthio]benzimidazol-1-yl]acetic acid
Click to Show/Hide
|
||||
| Activity |
IC50 > 200000 nM
|
[5] | |||
| Compound Name |
4-(4-Hydroxyphenyl)-2-butanone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
Raspberry ketone; 4-(4-Hydroxyphenyl)butan-2-one; Frambinone; Oxyphenalon; Rheosmin; 4-(p-Hydroxyphenyl)-2-butanone; 4-Hydroxybenzylacetone; 2-Butanone, 4-(4-hydroxyphenyl)-; Betuligenol; p-Hydroxybenzyl acetone; Rasketone; 4-(3-Oxobutyl)phenol; 1-(p-Hydroxyphenyl)-3-butanone; 1-(4-Hydroxyphenyl)-3-butanone; (p-Hydroxybenzyl)acetone; 2-BUTANONE, 4-(p-HYDROXYPHENYL)-; rasberry ketone; p-hydroxyphenylbutan-2-one; UNII-7QY1MH15BG; NSC 26515; RASPBERRYKETONE; MFCD00002394; 7QY1MH15BG; CHEMBL105912; 4-(PARA-HYDROXYPHENYL)2-BUTANONE; 4-[4-hydroxyphenyl]butan-2-one; Hydroxyphenylbutanone, p-; 4-(4-Hydroxyphenyl)-2-butanone, 99+%; FEMA No. 2588; EINECS 226-806-4; BRN 0776080; Himbeerketon; Rheosmine; 4-(p-Hydroxyphenyl)-2-butanone (natural); AI3-31812; HSDB 8163; Nat. Raspberry Ketone; p-Hydroxy benzylacetone; PubChem21102; (4-Hydroxybenzyl)acetone; ACMC-209lj8; 4-hydroxyphenylbutan-2-one; EC 226-806-4; DSSTox_CID_24495; DSSTox_RID_80270; DSSTox_GSID_44495; SCHEMBL43308; WLN: QR D2V1; KSC269I8J; NATURAL RASPBERRY KETONE; 4-(p-Hydroxyphenyl)2-Butanone; DTXSID5044495; CTK1G9484; FEMA 2588; 2-Butanone,4-Hydroxybenzylacetone; ZINC154632; 4-(4-hydroxyphenyl) butan-2-one; 4-(4-hydroxyphenyl)-butan-2-one; HY-N1426; NSC26515; 1-(4-hydroxy-phenyl)-butan-3-one; Tox21_301459; 4-(4-Hydroxy-phenyl)-butan-2-one; ANW-32178; BBL009822; BDBM50315100; NSC-26515; s9480; SBB056768; STK801275; AKOS000120840; LS40102; MCULE-8771951405; MP-2238; PS-4612; 2-(4-Hydroxyphenyl)ethyl methyl ketone; KS-00000C07; 4(4-HYDROXY PHENYL)-2-BUTANONE; 4-(4-Hydroxyphenyl)-2-butanone, 99%; NCGC00255780-01; AC-24193; AK114178; SC-18497; SY004032; DB-003440; CS-0016855; FT-0616638; FT-0669951; ST50330630; A830340; AE-473/30684056; Q414484; W-105606; 4-(4-Hydroxyphenyl)-2-butanone, >=98%, FCC, FG; 4-(4-Hydroxyphenyl)-2-butanone, analytical standard; 4-(4-Hydroxyphenyl)-2-butanone, natural, >=98%, FCC, FG; 4-(4-Hydroxyphenyl)-2-butanone, certified reference material, TraceCERT(R); Raspberry ketone, United States Pharmacopeia (USP) Reference Standard
Click to Show/Hide
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||||
| Activity |
IC50 = 251188.64 nM
|
[10] | |||
| Compound Name |
4-Hydroxyphenylacetone
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
1-(4-hydroxyphenyl)propan-2-one; 1-(4-hydroxyphenyl)acetone; p-hydroxyphenylacetone; 1-(4-Hydroxyphenyl)-2-propanone; 2-Propanone, 1-(4-hydroxyphenyl)-; UNII-7K79N2OO7F; 7K79N2OO7F; CHEMBL1090553; 1-(4-hydroxy-phenyl)-propan-2-one; MFCD00210439; 4-Acetonylphenol; 4-hydroxyphenyl acetone; 4-hydroxyphenylpropanone; ACMC-209p7o; SCHEMBL4455; 4-hydroxyphenylpropan-2-one; 4-Hydroxybenzyl methyl ketone; 4-hydroxyphenyl propan-2-one; 4-hydroxyphenyl-propan-2-one; KSC493G4N; (4-hydroxyphenyl)propan-2-one; CTK3J3346; DTXSID40427095; 1-(p-Hydroxyphenyl)-2-propanone; 1-(4-hydroxyphenyl)-propan-2-one; ZINC2558108; ANW-36946; BDBM50315101; AKOS005257889; AC-5623; FS-4052; MCULE-1295731157; VZ29225; KS-0000119Q; BR-53599; SC-11518; AB0017463; DB-056172; A9762; FT-0618735; ST50824208; M-4814; 4-Cyanophenyl-4-trans-n-propylcyclohexylbenzoate; 770H398; Q15634197
Click to Show/Hide
|
||||
| Activity |
IC50 = 416869.38 nM
|
[10] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Targeting the binding function 3 (BF3) site of the human androgen receptor through virtual screening. J Med Chem. 2011 Dec 22;54(24):8563-73. | ||||
| REF 2 | Discovery of a Novel Oral Glucocorticoid Receptor Modulator (AZD9567) with Improved Side Effect Profile. J Med Chem. 2018 Mar 8;61(5):1785-1799. | ||||
| REF 3 | Coumarins as novel 17beta-hydroxysteroid dehydrogenase type 3 inhibitors for potential treatment of prostate cancer. Bioorg Med Chem Lett. 2010 Jan 1;20(1):272-5. | ||||
| REF 4 | Discovery of acylurea isosteres of 2-acylaminothiadiazole in the azaxanthene series of glucocorticoid receptor agonists. Bioorg Med Chem Lett. 2014 Aug 1;24(15):3268-73. | ||||
| REF 5 | Targeting the binding function 3 (BF3) site of the androgen receptor through virtual screening. 2. development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole derivatives. J Med Chem. 2013 Feb 14;56(3):1136-48. | ||||
| REF 6 | Structure-activity relationship studies of miniproteins targeting the androgen receptor-coactivator interaction. Medchemcomm. 2013;4:187-92. | ||||
| REF 7 | Design and synthesis of 4-benzyl-1-(2H)-phthalazinone derivatives as novel androgen receptor antagonists. Eur J Med Chem. 2015 Sep 18;102:310-9. | ||||
| REF 8 | Synthetic derivatives of aromatic abietane diterpenoids and their biological activities. Eur J Med Chem. 2014 Nov 24;87:834-42. | ||||
| REF 9 | High anticancer potency on tumor cells of dehydroabietylamine Schiff-base derivatives and a copper(II) complex. Eur J Med Chem. 2018 Feb 25;146:451-459. | ||||
| REF 10 | Effect of essential oils, such as raspberry ketone and its derivatives, on antiandrogenic activity based on in vitro reporter gene assay. Bioorg Med Chem Lett. 2010 Apr 1;20(7):2111-4. | ||||
| REF 11 | Effect of flavonoids on androgen and glucocorticoid receptors based on in vitro reporter gene assay. Bioorg Med Chem Lett. 2009 Aug 15;19(16):4706-10. | ||||
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