Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T88806 | Target Info | |||
| Target Name | Integrin alpha-5/beta-1 (ITGA5/B1) | ||||
| Synonyms |
alpha(5)beta(1) integrin; Alpha 5 beta 1 integrin
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| Target Type | Clinical trial Target | ||||
| Gene Name | ITGA5-ITGB1 | ||||
| Biochemical Class | Integrin | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 19 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
BIO-1211
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|
Phase 2 | Compound Info | ||
| Synonyms |
BIO-1211; BIO 1211; 187735-94-0; UNII-61G4E2353I; CHEMBL88478; 61G4E2353I; BIO1211; GTPL6589; SCHEMBL1223367; MolPort-023-276-985; ZINC3930111; BDBM50074661; AKOS024457866; L-Proline, N-(2-(4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-L-leucyl-L-alpha-aspartyl-L-valyl-; L-Proline, N-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)acetyl)-L-leucyl-L-alpha-aspartyl-L-valyl-
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
(2S)-2-[(2,6-Dichlorobenzoyl)amino]-3-[4-[3-(1-methylazetidin-3-yl)propoxy]phenyl]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2031167; BDBM50383874
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| Activity |
IC50 = 58000 nM
|
[2] | |||
| Compound Name |
(R)-3-[(S)-5-(3-Guanidino-propylcarbamoyl)-2-oxo-1-aza-bicyclo[5.2.0]non-8-yl]-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL39700; BDBM50127296; (7beta)-2-Oxo-5alpha-(3-guanidinopropylcarbamoyl)-1-azabicyclo[5.2.0]nonane-8beta-propionic acid
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| Activity |
IC50 = 65000 nM
|
[3] | |||
| Compound Name |
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-Amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3298392; BDBM50023182
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| Activity |
IC50 = 66000 nM
|
[4] | |||
| Compound Name |
3-[[2-[5-(Diaminomethylideneamino)pentanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3319231; SCHEMBL4924076; BDBM50497719
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| Activity |
IC50 = 70000 nM
|
[5] | |||
| Compound Name |
(2S)-2-[(2,6-Dichlorobenzoyl)amino]-3-[3-[4-(pyridin-2-ylamino)butoxy]phenyl]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2030958; SCHEMBL4068071; BDBM50383811
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| Activity |
IC50 = 83000 nM
|
[6] | |||
| Compound Name |
2-[(2R,5S,9R)-5-Benzyl-9-[3-(diaminomethylideneamino)propyl]-3,8,11,13-tetraoxo-1,4,7,10-tetrazacyclotridec-2-yl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL571628; BDBM50378574
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
2-[(2R,5R,9R)-5-Benzyl-9-[3-(diaminomethylideneamino)propyl]-3,8,11,13-tetraoxo-1,4,7,10-tetrazacyclotridec-2-yl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL572266; BDBM50378573
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
Grgdnp
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Investigative | Compound Info | ||
| Synonyms |
GLY-ARG-GLY-ASP-ASN-PRO; RGD peptide (GRGDNP); CHEMBL2418222; H-Gly-Arg-Gly-Asp-Asn-Pro-OH; HY-P1740; ZINC3934113; BDBM50439682; MFCD00153556; CS-0095103; J-003123
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
3-[4-(3-Guanidino-benzoylamino)-phenylsulfanyl]-3-pyridin-3-yl-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL350668; SCHEMBL2835962; SCHEMBL13024514; BDBM50139204; beta-[4-(3-Guanidinobenzoylamino)phenylthio]pyridine-3-propionic acid; 3-[4-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid
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| Activity |
EC50 ~ 100000 nM
|
[9] | |||
| Compound Name |
2-[(5Z)-3-[[4-[(2-Aminoacetyl)amino]phenyl]methyl]-5-ethylidene-2,6-dioxo-4-propan-2-yl-1,3-diazinan-1-yl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2418219; BDBM50439685
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| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
2-[(2R,5S,9S)-5-Benzyl-9-[3-(diaminomethylideneamino)propyl]-3,8,11,13-tetraoxo-1,4,7,10-tetrazacyclotridec-2-yl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL570963; BDBM50378572
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-propionylamino]-3-methyl-butyric acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL369635; BDBM50074659; N-[4-[3-(2-Methylphenyl)ureido]phenylacetyl]-L-Leu-L-Asp-Val-OH
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-[(2S,5R,9R)-5-Benzyl-9-[3-(diaminomethylideneamino)propyl]-3,8,11,13-tetraoxo-1,4,7,10-tetrazacyclotridec-2-yl]acetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL570087; BDBM50378576
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|
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
(2S)-2-[(4-Fluoro-2-methoxybenzoyl)amino]-3-[4-[2-[6-(methylamino)pyridin-2-yl]ethoxy]phenyl]propanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2030801; BDBM50383791
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| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
3-{2-[(Z)-4-Carbamimidoyl-benzoylimino]-3,4-dimethyl-2,3-dihydro-thiazol-5-yl}-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL8572; BDBM50098965
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|
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| Activity |
IC50 ~ 100000 nM
|
[10] | |||
| Compound Name |
(S)-2-((S)-4-Methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-succinic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL173552; BDBM50074668; N-[4-[3-(2-Methylphenyl)ureido]phenylacetyl]-L-Leu-L-Asp-OH
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
Cyclo(-Arg-Ala-Asp-D-Phe-Val)
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL571979; cyclo(Arg-Ala-Asp-D-Phe-Val); BDBM50378577; MFCD01318823; ZINC49694914
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| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
3-[[2-[3-(4-Carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoic acid;2,2,2-trifluoroacetic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL141632
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| Activity |
IC50 = 180000 nM
|
[11] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 26 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Tirofiban
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|
Approved | Compound Info | ||
| Synonyms |
AGG; Aggrastat; Agrastat; Tirofibanum; Aggrastat (TN); Agrastat (TN); L-700462; MK-383; Tirofiban (INN); Tirofiban[BAN:INN]; Tirofiban [INN:BAN]; L-700,462; N-(BUTYLSULFONYL)-O-[4-(4-PIPERIDINYL)BUTYL]-L-TYROSINE; N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine; N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine; N-(butylsulfonyl)-o-[4-(piperidin-4-yl)butyl]-l-tyrosine; (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
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| Activity |
IC50 > 300000 nM
|
[12] | |||
| Compound Name |
Ac-Asp-Arg-Leu-Asp-Ser-OH
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL238484; Ac-Asp-Arg-Leu-Asp-Ser-OH; Acetyl-Asp-Arg-Leu-Asp-Ser-OH; ZINC28869420
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| Activity |
IC50 = 259000 nM
|
[13] | |||
| Compound Name |
N-(2,6-Dichlorobenzoyl)-3-[2-(pyridin-2-ylamino)ethoxy]-L-phenylalanine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2030814; SCHEMBL4074461; BDBM50383780; (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[3-[2-(pyridin-2-ylamino)ethoxy]phenyl]propanoic acid
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| Activity |
IC50 > 290000 nM
|
[6] | |||
| Compound Name |
3-[4-(7-Amino-heptyloxy)-phenyl]-2-benzyloxycarbonylamino-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL85544; BDBM50004062; N-(Benzyloxycarbonyl)-O-(7-aminoheptyl)-L-tyrosine; (S)-3-[4-(7-Amino-heptyloxy)-phenyl]-2-benzyloxycarbonylamino-propionic acid
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| Activity |
IC50 > 450000 nM
|
[12] | |||
| Compound Name |
(S)-3-(3,4-Dimethoxy-phenyl)-3-[2-((3-methoxy-propyl)-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetyl}-amino)-acetylamino]-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL316723; BDBM50106086
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|
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| Activity |
IC50 > 500000 nM
|
[14] | |||
| Compound Name |
(S)-3-(4-Methoxy-phenyl)-3-[2-((3-methoxy-propyl)-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetyl}-amino)-acetylamino]-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL327274; BDBM50106083
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|
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| Activity |
IC50 > 500000 nM
|
[14] | |||
| Compound Name |
(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetyl}-amino)-acetylamino]-3-phenyl-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL100519; BDBM50106082
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| Activity |
IC50 > 500000 nM
|
[14] | |||
| Compound Name |
3-[4-(6-Amino-hexyloxy)-phenyl]-2-(butane-1-sulfonylamino)-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL86115; L-Tyrosine, O-(6-aminohexyl)-N-(butylsulfonyl)-; CTK0B3051; ZINC3806114; BDBM50004065; N-(Butylsulfonyl)-O-(6-aminohexyl)-L-tyrosine; (2S)-3-[4-(6-aminohexoxy)phenyl]-2-(butylsulfonylamino)propanoic acid; (S)-3-[4-(6-Amino-hexyloxy)-phenyl]-2-(butane-1-sulfonylamino)-propionic acid
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| Activity |
IC50 > 500000 nM
|
[12] | |||
| Compound Name |
(E)-(S)-3-[2-((3-Methoxy-propyl)-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetyl}-amino)-acetylamino]-hex-4-enoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL97944; BDBM50106085; (3S)-3-[N-(3-Methoxypropyl)-N-[4-[3-(2-methylphenyl)ureido]phenylacetyl]glycylamino]-4-hexenoic acid
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| Activity |
IC50 > 500000 nM
|
[14] | |||
| Compound Name |
(S)-2-[((S)-3-Acetyl-thiazolidine-4-carbonyl)-amino]-3-[4-(2,6-dichloro-benzyloxy)-phenyl]-propionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL351547; SCHEMBL6453971; BDBM50089005; CT-5219
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| Activity |
IC50 > 800000 nM
|
[15] | |||
| Compound Name |
Arginyl-glycyl-aspartic acid
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Investigative | Compound Info | ||
| Synonyms |
Arg-gly-asp; Rgd peptide; Arginylglycylaspartic acid; RGD (Arg-Gly-Asp) Peptides; L-Aspartic acid, L-arginylglycyl-; UNII-78VO7F77PN; 78VO7F77PN; CHEMBL313763; (S)-2-(2-((S)-2-amino-5-guanidinopentanamido)acetamido)succinic acid; Rgd tripeptide sequence; Bitiscetin; Bitistatin; Arginyl-glycyl-asparagilin; l-arginylglycylaspartic acid; Poly(rgd); Poly(arg-gly-asp); C12H22N6O6; F-336; N-(N-L-Arginylglycyl)-L-aspartic acid; arginine-glycine-aspartic acid; Tripeptide RGD; L-Arginyl-Glycyl-L-Aspartic acid; Poly (arginyl-glycyl-aspartic acid); Arg-gly-Asp peptide; L-Aspartic acid, N-(N-L-arginylglycyl)-; SCHEMBL19139; CTK8D8707; AOB5939; DTXSID30912420; Arg-Gly-Asp, >=97% (TLC); HY-P0278; KS-00000XS3; ZINC3922521; 2226AH; BDBM50107402; MFCD00057952; s8008; AKOS015854089; AKOS015902678; CCG-267987; NCGC00167210-01; AC-32859; AS-61345; Q4068819; L-Aspartic acid, N-(N-L-arginylglycyl)-, homopolymer; 2-[2-(2-Amino-5-guanidino-pentanoylamino)-acetylamino]-succinic acid(RGD); (2S)-2-{2-[(2S)-2-amino-5-carbamimidamidopentanamido]acetamido}butanedioic acid; (S)-2-[2-((S)-2-Amino-5-guanidino-pentanoylamino)-acetylamino]-succinic acid
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| Activity |
IC50 = 830000 nM
|
[4] | |||
| Compound Name |
4-((1-(4-Carbamimidoylbenzyl)-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl)(propyl)amino)-4-oxobutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL392102; BDBM50222354
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| Activity |
IC50 > 1000000 nM
|
[13] | |||
| Compound Name |
2-((1-(4-Carbamimidoylbenzyl)-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl)(propyl)carbamoyl)-4-methoxy-4-oxobutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL392355; BDBM50222350
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| Activity |
IC50 > 1000000 nM
|
[13] | |||
| Compound Name |
2-({1-[(4-Aminophenyl)methyl]-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl}(propyl)carbamoyl)butanedioic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL238658; BDBM50222358
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| Activity |
IC50 > 1000000 nM
|
[13] | |||
| Compound Name |
3-(3-(3-Amino-N-propylpropanamido)-4-methyl-2-oxo-6-phenyl-5,6-dihydropyridin-1(2H)-yl)propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL238697; BDBM50222348
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| Activity |
IC50 > 1000000 nM
|
[13] | |||
| Compound Name |
3-(3-(6-Amino-N-propylhexanamido)-4-methyl-2-oxo-6-phenyl-5,6-dihydropyridin-1(2H)-yl)propanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL239330; BDBM50222355
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| Activity |
IC50 > 1000000 nM
|
[13] | |||
| Compound Name |
H-Vyavtgrgdspa-NH2
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL402695; BDBM50131108
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|
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| Activity |
IC50 = 1000000 nM
|
[16] | |||
| Compound Name |
2-({1-[(4-Aminophenyl)methyl]-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl}(propyl)carbamoyl)-4-methoxy-4-oxobutanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL238657; BDBM50222353
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|
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| Activity |
IC50 > 1000000 nM
|
[13] | |||
| Compound Name |
3-(((S)-6-(4-Aminophenyl)-1-((S)-1-(4-methoxyphenyl)ethyl)-4-methyl-2-oxo-1,2,5,6-tetrahydropyridin-3-yl)(propyl)amino)-3-oxopropanoic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL239749; BDBM50222347
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|
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| Activity |
IC50 > 1000000 nM
|
[13] | |||
| Compound Name |
N-{6-(4-Carbamimidoyl-phenyl)-1-[(S)-1-(4-methoxy-phenyl)-ethyl]-4-methyl-2-oxo-1,2,5,6-tetrahydro-pyridin-3-yl}-N-propyl-malonamic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL239333; BDBM50222352
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|
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| Activity |
IC50 > 1000000 nM
|
[13] | |||
| Compound Name |
3-((1-(4-Carbamimidoylbenzyl)-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl)(propyl)amino)-3-oxopropanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL239334; BDBM50222351
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|
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| Activity |
IC50 > 1000000 nM
|
[13] | |||
| Compound Name |
2-((1-(4-Carbamimidoylbenzyl)-4-methyl-2-oxo-6-phenyl-1,2,5,6-tetrahydropyridin-3-yl)(propyl)carbamoyl)succinic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL238440; BDBM50222346
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|
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| Activity |
IC50 > 1000000 nM
|
[13] | |||
| Compound Name |
(3S)-3-[[2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-Amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxyethyl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL431797; BDBM50131109
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|
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| Activity |
IC50 = 1100000 nM
|
[16] | |||
| Compound Name |
3-[5-(3-Guanidino-propylcarbamoyl)-2-oxo-1-aza-bicyclo[5.2.0]non-8-yl]-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL38455; BDBM50127297
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| Activity |
IC50 = 1300000 nM
|
[3] | |||
| Compound Name |
Arginyl-glycyl-aspartyl-phenylalanine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL303561; Rgdf peptide; Arg-gly-asp-phe; DTXSID40149361; N-(N-(N-L-Arginylglycyl)-L-alpha-aspartyl)-L-phenylalanine; BDBM50003851; L-Phenylalanine, N-(N-(N-L-arginylglycyl)-L-alpha-aspartyl)-
Click to Show/Hide
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| Activity |
IC50 = 1546000 nM
|
[4] | |||
| Compound Name |
(R)-3-[(R)-5-(3-Guanidino-propylcarbamoyl)-2-oxo-1-aza-bicyclo[5.2.0]non-8-yl]-propionic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL290705; BDBM50127298; (7beta)-2-Oxo-5beta-(3-guanidinopropylcarbamoyl)-1-azabicyclo[5.2.0]nonane-8beta-propionic acid
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| Activity |
IC50 = 3100000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Selective, tight-binding inhibitors of integrin alpha4beta1 that inhibit allergic airway responses. J Med Chem. 1999 Mar 11;42(5):920-34. | ||||
| REF 2 | Structure-activity relationship of a series of non peptidic RGD integrin antagonists targeting alpha51: part 1. Bioorg Med Chem Lett. 2012 Jun 15;22(12):4111-6. | ||||
| REF 3 | Nonpeptide RGD antagonists: a novel class of mimetics, the 5,8-disubstituted 1-azabicyclo[5.2.0]nonan-2-one lactam. Bioorg Med Chem Lett. 2003 May 5;13(9):1561-4. | ||||
| REF 4 | Rational improvement of the affinity and selectivity of integrin binding of grafted lasso peptides. J Med Chem. 2014 Jul 10;57(13):5829-34. | ||||
| REF 5 | Strategies to inhibit tumor associated integrin receptors: rationale for dual and multi-antagonists. J Med Chem. 2014 Aug 14;57(15):6301-15. | ||||
| REF 6 | Structure-activity relationship of a series of non peptidic RGD integrin antagonists targeting alpha51: part 2. Bioorg Med Chem Lett. 2012 Jun 15;22(12):4117-21. | ||||
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