Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50152777'   

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))	BDBM50152777 ((S)-2-Benzoylamino-3-(5-5,6,7,8-tetrahydro-[1,8]na...) Show SMILES OC(=O)[C@H](CNC(=O)CCCCc1ccc2CCCNc2n1)NC(=O)c1ccccc1 Show InChI InChI=1S/C23H28N4O4/c28-20(11-5-4-10-18-13-12-16-9-6-14-24-21(16)26-18)25-15-19(23(30)31)27-22(29)17-7-2-1-3-8-17/h1-3,7-8,12-13,19H,4-6,9-11,14-15H2,(H,24,26)(H,25,28)(H,27,29)(H,30,31)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73.8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alpha v beta 3 receptor binding				Bioorg Med Chem Lett 14: 4411-5 (2004) Article DOI: 10.1016/j.bmcl.2004.06.068 BindingDB Entry DOI: 10.7270/Q2PZ5B0H
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