Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50166693'   

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))	BDBM50166693 (3-Pyridin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]na...) Show SMILES OC(=O)CC(c1cccnc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C26H26N4O3/c31-25(32)16-24(20-4-1-11-27-17-20)30-13-9-19-15-22(7-8-23(19)30)33-14-10-21-6-5-18-3-2-12-28-26(18)29-21/h1,4-9,11,13,15,17,24H,2-3,10,12,14,16H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.25	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
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166693 (3-Pyridin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]na...) Show SMILES OC(=O)CC(c1cccnc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C26H26N4O3/c31-25(32)16-24(20-4-1-11-27-17-20)30-13-9-19-15-22(7-8-23(19)30)33-14-10-21-6-5-18-3-2-12-28-26(18)29-21/h1,4-9,11,13,15,17,24H,2-3,10,12,14,16H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.25	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
					More data for this Ligand-Target Pair