Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Triosephosphate isomerase' and Ligand = 'BDBM246597'   

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))	BDBM246597 (TIM inhibitor, 2) Show SMILES Oc1ccc2nc3cc(Cl)c(Cl)cc3nc2c1 Show InChI InChI=1S/C12H6Cl2N2O/c13-7-4-11-12(5-8(7)14)16-10-3-6(17)1-2-9(10)15-11/h1-5,17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	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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