Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Integrin alpha-IIb/beta-3' and Ligand = 'BDBM50034695'   

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))	BDBM50034695 (3-{[1-((R)-2-tert-Butoxycarbonylamino-6-isopropyla...) Show SMILES CC(C)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC(C1)C(=O)NCCC(O)=O Show InChI InChI=1S/C23H42N4O6/c1-16(2)24-12-7-6-10-18(26-22(32)33-23(3,4)5)21(31)27-14-8-9-17(15-27)20(30)25-13-11-19(28)29/h16-18,24H,6-15H2,1-5H3,(H,25,30)(H,26,32)(H,28,29)/t17?,18-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
R. W. Johnson Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of biotinylated fibrinogen binding to isolated alpha IIb beta3 integrin				J Med Chem 38: 1582-92 (1995) BindingDB Entry DOI: 10.7270/Q2GB233R
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