Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50125314'   

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-V/beta-3 (Homo sapiens (Human))	BDBM50125314 (2-{3'-[3-(1H-Benzoimidazol-2-yl)-ureido]-biphenyl-...) Show SMILES OC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc(c1)-c1cccc(NC(=O)Nc2nc3ccccc3[nH]2)c1 Show InChI InChI=1S/C29H25N5O5S/c35-27(36)26(16-19-8-2-1-3-9-19)34-40(38,39)23-13-7-11-21(18-23)20-10-6-12-22(17-20)30-29(37)33-28-31-24-14-4-5-15-25(24)32-28/h1-15,17-18,26,34H,16H2,(H,35,36)(H3,30,31,32,33,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Binding affinity towards vitronectin receptor (alpha V-beta3) was determined				Bioorg Med Chem Lett 13: 1071-4 (2003) BindingDB Entry DOI: 10.7270/Q2S46T44
					More data for this Ligand-Target Pair