BDBM50119085 (S)-2-(2-Chloro-benzoylamino)-3-(4-propylcarbamoyloxy-phenyl)-propionic acid::CHEMBL318499

SMILES: CCCNC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1

InChI Key: InChIKey=QVUGBFYAEPCUEO-KRWDZBQOSA-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 = 50119085   

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 α4β7 (Homo sapiens (Human))	BDBM50119085 ((S)-2-(2-Chloro-benzoylamino)-3-(4-propylcarbamoyl...) Show SMILES CCCNC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C20H21ClN2O5/c1-2-11-22-20(27)28-14-9-7-13(8-10-14)12-17(19(25)26)23-18(24)15-5-3-4-6-16(15)21/h3-10,17H,2,11-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/t17-/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	40	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
Fibronectin receptor beta/Integrin alpha-4 (Homo sapiens (Human))	BDBM50119085 ((S)-2-(2-Chloro-benzoylamino)-3-(4-propylcarbamoyl...) Show SMILES CCCNC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(O)=O)cc1 Show InChI InChI=1S/C20H21ClN2O5/c1-2-11-22-20(27)28-14-9-7-13(8-10-14)12-17(19(25)26)23-18(24)15-5-3-4-6-16(15)21/h3-10,17H,2,11-12H2,1H3,(H,22,27)(H,23,24)(H,25,26)/t17-/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	20	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