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BDBM50119094 (S)-2-(2-Chloro-benzoylamino)-3-(2'-methoxy-biphenyl-4-yl)-propionic acid::CHEMBL317151

SMILES: COc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1

InChI Key: InChIKey=PYLQHQVUGWACLR-FQEVSTJZSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50119094   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fibronectin receptor beta/Integrin alpha-4


(Homo sapiens (Human))
BDBM50119094
PNG
((S)-2-(2-Chloro-benzoylamino)-3-(2'-methoxy-biphen...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C23H20ClNO4/c1-29-21-9-5-3-6-17(21)16-12-10-15(11-13-16)14-20(23(27)28)25-22(26)18-7-2-4-8-19(18)24/h2-13,20H,14H2,1H3,(H,25,26)(H,27,28)/t20-/m0/s1
PDB

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PC sid
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Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha4-beta1 integrin (vascular cell adhesion molecule) in ELISA assay


Bioorg Med Chem Lett 12: 2913-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00597-8
BindingDB Entry DOI: 10.7270/Q2X34WT2
More data for this
Ligand-Target Pair
Integrin α4β7


(Homo sapiens (Human))
BDBM50119094
PNG
((S)-2-(2-Chloro-benzoylamino)-3-(2'-methoxy-biphen...)
Show SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1
Show InChI InChI=1S/C23H20ClNO4/c1-29-21-9-5-3-6-17(21)16-12-10-15(11-13-16)14-20(23(27)28)25-22(26)18-7-2-4-8-19(18)24/h2-13,20H,14H2,1H3,(H,25,26)(H,27,28)/t20-/m0/s1
PDB
MMDB

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Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 736n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha4-beta7/ MAdCAM integrin (mucosal addressin cell adhesion molecule) in ELISA assay


Bioorg Med Chem Lett 12: 2913-7 (2002)


Article DOI: 10.1016/s0960-894x(02)00597-8
BindingDB Entry DOI: 10.7270/Q2X34WT2
More data for this
Ligand-Target Pair