BDBM50119090 (S)-2-(2-Chloro-benzoylamino)-3-[2'-(phenethylamino-methyl)-biphenyl-4-yl]-propionic acid::CHEMBL318676

SMILES: OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1CNCCc1ccccc1)NC(=O)c1ccccc1Cl

InChI Key: InChIKey=SLMLZSAUAQSGPC-LJAQVGFWSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50119090   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Integrin alpha-4/beta-7 (Homo sapiens (Human))	BDBM50119090 ((S)-2-(2-Chloro-benzoylamino)-3-[2'-(phenethylamin...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1CNCCc1ccccc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O3/c32-28-13-7-6-12-27(28)30(35)34-29(31(36)37)20-23-14-16-24(17-15-23)26-11-5-4-10-25(26)21-33-19-18-22-8-2-1-3-9-22/h1-17,29,33H,18-21H2,(H,34,35)(H,36,37)/t29-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50119090 ((S)-2-(2-Chloro-benzoylamino)-3-[2'-(phenethylamin...) Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1CNCCc1ccccc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C31H29ClN2O3/c32-28-13-7-6-12-27(28)30(35)34-29(31(36)37)20-23-14-16-24(17-15-23)26-11-5-4-10-25(26)21-33-19-18-22-8-2-1-3-9-22/h1-17,29,33H,18-21H2,(H,34,35)(H,36,37)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2X34WT2
					More data for this Ligand-Target Pair