BDBM50119082 (S)-2-(2-Chloro-benzoylamino)-3-(4-cyclohexylcarbamoyloxy-phenyl)-propionic acid::CHEMBL98821

SMILES: OC(=O)[C@H](Cc1ccc(OC(=O)NC2CCCCC2)cc1)NC(=O)c1ccccc1Cl

InChI Key: InChIKey=TYGFNSSTUPFGIG-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 = 50119082   

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))	BDBM50119082 ((S)-2-(2-Chloro-benzoylamino)-3-(4-cyclohexylcarba...) Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)NC2CCCCC2)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C23H25ClN2O5/c24-19-9-5-4-8-18(19)21(27)26-20(22(28)29)14-15-10-12-17(13-11-15)31-23(30)25-16-6-2-1-3-7-16/h4-5,8-13,16,20H,1-3,6-7,14H2,(H,25,30)(H,26,27)(H,28,29)/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	165	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))	BDBM50119082 ((S)-2-(2-Chloro-benzoylamino)-3-(4-cyclohexylcarba...) Show SMILES OC(=O)[C@H](Cc1ccc(OC(=O)NC2CCCCC2)cc1)NC(=O)c1ccccc1Cl Show InChI InChI=1S/C23H25ClN2O5/c24-19-9-5-4-8-18(19)21(27)26-20(22(28)29)14-15-10-12-17(13-11-15)31-23(30)25-16-6-2-1-3-7-16/h4-5,8-13,16,20H,1-3,6-7,14H2,(H,25,30)(H,26,27)(H,28,29)/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	734	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