Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glyceraldehyde-3-phosphate dehydrogenase, cytosolic' and Ligand = 'BDBM50100480'   

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
Glyceraldehyde-3-phosphate dehydrogenase, cytosolic (Leishmania mexicana)	BDBM50100480 (CHEMBL65287 | N-[2-(6-Amino-purin-9-ylmethyl)-5-di...) Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@@H]1C(Cn2cnc3c(N)ncnc23)OC(CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H]1O Show InChI InChI=1S/C34H35N7O6/c1-45-23-13-22(14-24(15-23)46-2)33(43)40-28-26(17-41-19-39-29-31(35)37-18-38-32(29)41)47-25(30(28)42)16-36-34(44)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,18-19,25-28,30,42H,16-17H2,1-2H3,(H,36,44)(H,40,43)(H2,35,37,38)/t25?,26?,28-,30+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibitory activity against Leishmania mexicana GAPDH				J Med Chem 44: 2080-93 (2001) BindingDB Entry DOI: 10.7270/Q2086604
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