Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50125288'   

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))	BDBM50125288 ((S)-3-[3'-(3-Propyl-ureido)-biphenyl-4-yl]-2-(2-tr...) Show SMILES CCCNC(=O)Nc1cccc(c1)-c1ccc(C[C@H](NS(=O)(=O)c2ccccc2C(F)(F)F)C(O)=O)cc1 Show InChI InChI=1S/C26H26F3N3O5S/c1-2-14-30-25(35)31-20-7-5-6-19(16-20)18-12-10-17(11-13-18)15-22(24(33)34)32-38(36,37)23-9-4-3-8-21(23)26(27,28)29/h3-13,16,22,32H,2,14-15H2,1H3,(H,33,34)(H2,30,31,35)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	>1.00E+4	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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