Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50153028'   

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))	BDBM50153028 ((E)-3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8...) Show SMILES OC(=O)CC(\C=C\CCCCc1ccc2CCCNc2n1)c1cccc(F)c1 Show InChI InChI=1S/C23H27FN2O2/c24-20-10-5-8-18(15-20)19(16-22(27)28)7-3-1-2-4-11-21-13-12-17-9-6-14-25-23(17)26-21/h3,5,7-8,10,12-13,15,19H,1-2,4,6,9,11,14,16H2,(H,25,26)(H,27,28)/b7-3+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
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