Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50125290'   

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))	BDBM50125290 ((S)-3-[3'-(3-Cyclopentyl-ureido)-4'-methyl-bipheny...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(C)c(NC(=O)NC2CCCC2)c1)C(O)=O Show InChI InChI=1S/C31H37N3O5S/c1-19-15-21(3)29(22(4)16-19)40(38,39)34-28(30(35)36)17-23-10-13-24(14-11-23)25-12-9-20(2)27(18-25)33-31(37)32-26-7-5-6-8-26/h9-16,18,26,28,34H,5-8,17H2,1-4H3,(H,35,36)(H2,32,33,37)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	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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