Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50166676'   

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))	BDBM50166676 (3-{5-[2,2-Difluoro-2-(5,6,7,8-tetrahydro-[1,8]naph...) Show SMILES OC(=O)CC(c1cccnc1)n1ccc2cc(OCC(F)(F)c3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C26H24F2N4O3/c27-26(28,23-8-5-17-3-2-11-30-25(17)31-23)16-35-20-6-7-21-18(13-20)9-12-32(21)22(14-24(33)34)19-4-1-10-29-15-19/h1,4-10,12-13,15,22H,2-3,11,14,16H2,(H,30,31)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
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