Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glyceraldehyde-3-phosphate dehydrogenase, cytosolic' and Ligand = 'BDBM50100477'   

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)	BDBM50100477 (Acetic acid 5-(4-hydroxy-5-hydroxymethyl-2-{6-[(na...) Show SMILES COc1ccc(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/C31H30N6O7/c1-17(39)43-23-12-19(10-11-22(23)42-2)30(41)36-25-27(40)24(14-38)44-31(25)37-16-35-26-28(33-15-34-29(26)37)32-13-20-8-5-7-18-6-3-4-9-21(18)20/h3-12,15-16,24-25,27,31,38,40H,13-14H2,1-2H3,(H,36,41)(H,32,33,34)/t24-,25-,27-,31-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.80E+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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