Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50111981'   

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))	BDBM50111981 (CHEMBL3605400) Show SMILES CN1C(=S)N\C(=C\c2ccc(o2)-c2ccc(F)c(F)c2)C1=O Show InChI InChI=1S/C15H10F2N2O2S/c1-19-14(20)12(18-15(19)22)7-9-3-5-13(21-9)8-2-4-10(16)11(17)6-8/h2-7H,1H3,(H,18,22)/b12-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+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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