Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50111792   

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))	BDBM50111792 (CHEMBL3605380) Show SMILES CCN1C(=S)N\C(=C\c2ccc(=O)[nH]c2)C1=O Show InChI InChI=1S/C20H32N4O8/c21-9-13-16(27)17(28)19(31-13)32-14(10-23-5-2-1-3-6-23)12-8-11(25)18(30-12)24-7-4-15(26)22-20(24)29/h4,7,11-14,16-19,25,27-28H,1-3,5-6,8-10,21H2,(H,22,26,29)/t11-,12+,13-,14+,16-,17-,18-,19+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60E+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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