Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glyceraldehyde-3-phosphate dehydrogenase, cytosolic' and Ligand = 'BDBM50100501'   

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)	BDBM50100501 (Acetic acid 2-acetoxy-5-(4-hydroxy-5-hydroxymethyl...) Show SMILES CC(=O)Oc1ccc(cc1OC(C)=O)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(NCc3cccc4ccccc34)ncnc12 Show InChI InChI=1S/C32H30N6O8/c1-17(40)44-23-11-10-20(12-24(23)45-18(2)41)31(43)37-26-28(42)25(14-39)46-32(26)38-16-36-27-29(34-15-35-30(27)38)33-13-21-8-5-7-19-6-3-4-9-22(19)21/h3-12,15-16,25-26,28,32,39,42H,13-14H2,1-2H3,(H,37,43)(H,33,34,35)/t25-,26-,28-,32-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+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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