Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50111976'   

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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM50111976 (CHEMBL3605396) Show SMILES COc1cc(\C=C2\NC(=S)N(C)C2=O)ccn1 Show InChI InChI=1S/C11H11N3O2S/c1-14-10(15)8(13-11(14)17)5-7-3-4-12-9(6-7)16-2/h3-6H,1-2H3,(H,13,17)/b8-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by subst...				J Med Chem 58: 6899-908 (2015) Article DOI: 10.1021/acs.jmedchem.5b00684 BindingDB Entry DOI: 10.7270/Q2M61N2D
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