Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1' and Ligand = 'BDBM50435076'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50435076 (CHEMBL2391493) Show SMILES CC1(CC(=NO1)c1ccccc1F)C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O |r,c:3| Show InChI InChI=1S/C27H22Cl2FN3O5/c1-27(14-22(33-38-27)17-5-2-3-8-20(17)30)26(37)32-21(25(35)36)13-15-9-11-16(12-10-15)31-24(34)23-18(28)6-4-7-19(23)29/h2-12,21H,13-14H2,1H3,(H,31,34)(H,32,37)(H,35,36)/t21-,27?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ranbaxy Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at VLA-4 receptor in human U937 cells assessed as inhibition of VCAM-1 binding by MTT assay				Bioorg Med Chem Lett 23: 1482-5 (2013) Article DOI: 10.1016/j.bmcl.2012.12.043 BindingDB Entry DOI: 10.7270/Q2668FKK
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