Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50125307'   

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))	BDBM50125307 ((S)-3-{3'-[3-(4-Trifluoromethyl-benzyl)-ureido]-bi...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(NC(=O)NCc2ccc(cc2)C(F)(F)F)c1)C(O)=O Show InChI InChI=1S/C33H32F3N3O5S/c1-20-15-21(2)30(22(3)16-20)45(43,44)39-29(31(40)41)17-23-7-11-25(12-8-23)26-5-4-6-28(18-26)38-32(42)37-19-24-9-13-27(14-10-24)33(34,35)36/h4-16,18,29,39H,17,19H2,1-3H3,(H,40,41)(H2,37,38,42)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.00E+3	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