Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50121148'   

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))	BDBM50121148 (2-(2,3-Dihydro-benzofuran-6-yl)-3-(3-1,2,3,4,6,7,8...) Show SMILES OC(=O)C(CNC(=O)CCC1CCc2cc3CCCNc3nc2C1)c1ccc2CCOc2c1 Show InChI InChI=1S/C26H31N3O4/c30-24(28-15-21(26(31)32)18-7-6-17-9-11-33-23(17)14-18)8-4-16-3-5-19-13-20-2-1-10-27-25(20)29-22(19)12-16/h6-7,13-14,16,21H,1-5,8-12,15H2,(H,27,29)(H,28,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.720	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to human integrin receptor alpha V beta3				Bioorg Med Chem Lett 12: 3483-6 (2002) BindingDB Entry DOI: 10.7270/Q26974S6
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