Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50155813'   

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-IIb/beta-3 (Homo sapiens (Human))	BDBM50155813 ((R)-3-Quinolin-3-yl-4-[1-(3-5,6,7,8-tetrahydro-[1,...) Show SMILES OC(=O)C[C@@H](CC1CCN(CC1)C(=O)CCc1ccc2CCCNc2n1)c1cnc2ccccc2c1 Show InChI InChI=1S/C29H34N4O3/c34-27(10-9-25-8-7-21-5-3-13-30-29(21)32-25)33-14-11-20(12-15-33)16-23(18-28(35)36)24-17-22-4-1-2-6-26(22)31-19-24/h1-2,4,6-8,17,19-20,23H,3,5,9-16,18H2,(H,30,32)(H,35,36)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research & Development Curated by ChEMBL					Assay Description Inhibitory concentration for biotinylated fibrinogen binding to immobilized alpha IIb beta3 integrin				Bioorg Med Chem Lett 14: 5937-41 (2004) Article DOI: 10.1016/j.bmcl.2004.08.067 BindingDB Entry DOI: 10.7270/Q2DZ07S6
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