Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50125294'   

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))	BDBM50125294 ((S)-3-[3'-(3-Benzyl-ureido)-biphenyl-4-yl]-2-(2,4,...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NCc2ccccc2)c1)C(O)=O Show InChI InChI=1S/C32H33N3O5S/c1-21-16-22(2)30(23(3)17-21)41(39,40)35-29(31(36)37)18-24-12-14-26(15-13-24)27-10-7-11-28(19-27)34-32(38)33-20-25-8-5-4-6-9-25/h4-17,19,29,35H,18,20H2,1-3H3,(H,36,37)(H2,33,34,38)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	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
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