Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50201115'   

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))	BDBM50201115 (3-phenyl-3-(5-(3-(5,6,7,8-tetrahydro-1,8-naphthyri...) Show SMILES OC(=O)CC(c1ccccc1)n1ccc2cc(CCCc3ccc4CCCNc4n3)ccc12 |w:4.3| Show InChI InChI=1S/C28H29N3O2/c32-27(33)19-26(21-7-2-1-3-8-21)31-17-15-23-18-20(11-14-25(23)31)6-4-10-24-13-12-22-9-5-16-29-28(22)30-24/h1-3,7-8,11-15,17-18,26H,4-6,9-10,16,19H2,(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to Integrin alpha-v-beta-3 receptor by ELISA assay				Eur J Med Chem 42: 334-43 (2007) Article DOI: 10.1016/j.ejmech.2006.10.015 BindingDB Entry DOI: 10.7270/Q21J9BKM
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