Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-V/beta-3' and Ligand = 'BDBM50178249'   

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))	BDBM50178249 (3-(6-methoxypyridin-3-yl)-4-(2-(4-(4-thiomorpholin...) Show SMILES COc1ccc(cn1)C(CC(O)=O)Cc1csc(CCCCNc2cc(ccn2)N2CCSCC2)n1 Show InChI InChI=1S/C26H33N5O3S2/c1-34-24-6-5-19(17-29-24)20(15-26(32)33)14-21-18-36-25(30-21)4-2-3-8-27-23-16-22(7-9-28-23)31-10-12-35-13-11-31/h5-7,9,16-18,20H,2-4,8,10-15H2,1H3,(H,27,28)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.73	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of Integrin alphaV Beta3 receptor by solid-phase receptor binding assay				Bioorg Med Chem Lett 16: 845-9 (2006) Article DOI: 10.1016/j.bmcl.2005.11.017 BindingDB Entry DOI: 10.7270/Q2PN956J
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