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

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 = 50119094   

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
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50119094 ((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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	51	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
Integrin α4β7 (Homo sapiens (Human))	BDBM50119094 ((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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	736	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