Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Triosephosphate isomerase' and Ligand = 'BDBM246596'   

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
Triosephosphate isomerase (Homo sapiens (Human))	BDBM246596 (TIM inhibitor, 1) Show SMILES Cc1ccc(cc1)-c1nsc(=O)[nH]1 Show InChI InChI=1S/C9H8N2OS/c1-6-2-4-7(5-3-6)8-10-9(12)13-11-8/h2-5H,1H3,(H,10,11,12)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	7.4	37
Universidad de la República					Assay Description The reaction mixture (1 mL, pH 7.4) contained 100mM triethanolamine, 10mM EDTA, 0.2mM NADH, 1mM glyceraldehyde 3-phosphate (GAP) and 0.9 units of a-g...				J Enzyme Inhib Med Chem 29: 198-204 (2014) Article DOI: 10.3109/14756366.2013.765415 BindingDB Entry DOI: 10.7270/Q27S7MPS
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