Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-4/beta-1 [T112H]' and Ligand = 'BDBM17190'   

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 [T112H] (Homo sapiens (Human))	BDBM17190 (3-{4-[3-(4-{[(2-methylphenyl)carbamoyl]amino}pheny...) Show SMILES Cc1ccccc1NC(=O)Nc1ccc(cc1)-c1cccn(-c2ccc(CCC(O)=O)cc2)c1=O Show InChI InChI=1S/C28H25N3O4/c1-19-5-2-3-7-25(19)30-28(35)29-22-13-11-21(12-14-22)24-6-4-18-31(27(24)34)23-15-8-20(9-16-23)10-17-26(32)33/h2-9,11-16,18H,10,17H2,1H3,(H,32,33)(H2,29,30,35)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	>-33.9	n/a	n/a	n/a	n/a	n/a	7.5	22
GlaxoSmithKline					Assay Description J6 cells (1 million cells/well) were allowed to coat wheat germ agglutinin coated SPA beads (Amersham, 1 mg/well) in assay buffer. Tritiated 3H Stand...				Bioorg Med Chem Lett 16: 2256-9 (2006) Article DOI: 10.1016/j.bmcl.2006.01.025 BindingDB Entry DOI: 10.7270/Q2125QWV
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