Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50127957'   

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))	BDBM50127957 ((S)-3-(3-Fluoro-phenyl)-3-(2-{6-methyl-2-oxo-3-[(5...) Show SMILES Cc1cnc(NCc2ccc3CCCNc3n2)c(=O)n1CC(=O)N[C@@H](CC(O)=O)c1cccc(F)c1 Show InChI InChI=1S/C25H27FN6O4/c1-15-12-28-24(29-13-19-8-7-16-5-3-9-27-23(16)30-19)25(36)32(15)14-21(33)31-20(11-22(34)35)17-4-2-6-18(26)10-17/h2,4,6-8,10,12,20H,3,5,9,11,13-14H2,1H3,(H,27,30)(H,28,29)(H,31,33)(H,34,35)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against human alpha V beta3 receptor using SPAV3 assay				Bioorg Med Chem Lett 13: 1809-12 (2003) BindingDB Entry DOI: 10.7270/Q2CJ8CVB
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