Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glyceraldehyde-3-phosphate dehydrogenase' and Ligand = 'BDBM50144454'   

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 (Homo sapiens (Human))	BDBM50144454 (1-(3,4-Bis-benzoyloxy-5-benzoyloxymethyl-tetrahydr...) Show SMILES CCOC(=O)c1cn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c2ccc(Cl)cc2c1=O |r| Show InChI InChI=1S/C38H30ClNO10/c1-2-46-38(45)28-21-40(29-19-18-26(39)20-27(29)31(28)41)34-33(50-37(44)25-16-10-5-11-17-25)32(49-36(43)24-14-8-4-9-15-24)30(48-34)22-47-35(42)23-12-6-3-7-13-23/h3-21,30,32-34H,2,22H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal de Minas Gerais Curated by ChEMBL					Assay Description Inhibitory concentration of compound against glyceraldehyde-3-phosphate dehydrogenase was determined				Bioorg Med Chem Lett 14: 2199-204 (2004) Article DOI: 10.1016/j.bmcl.2004.02.025 BindingDB Entry DOI: 10.7270/Q20K2810
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