Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50152782'   

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))	BDBM50152782 ((S)-2-Cyclohexylmethanesulfonylamino-9-(5,6,7,8-te...) Show SMILES OC(=O)[C@H](CCCCCCCc1ccc2CCCNc2n1)NS(=O)(=O)CC1CCCCC1 Show InChI InChI=1S/C24H39N3O4S/c28-24(29)22(27-32(30,31)18-19-10-5-4-6-11-19)14-8-3-1-2-7-13-21-16-15-20-12-9-17-25-23(20)26-21/h15-16,19,22,27H,1-14,17-18H2,(H,25,26)(H,28,29)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18.1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of binding to alpha v beta 3 receptor				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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