Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50508269'   

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))	BDBM50508269 (CHEMBL4560109) Show SMILES O=C1NC(=O)C(=C1c1cc[nH]c1)c1cn(CCCn2ccnc2)c2ccccc12 |c:5| Show InChI InChI=1S/C22H19N5O2/c28-21-19(15-6-7-23-12-15)20(22(29)25-21)17-13-27(18-5-2-1-4-16(17)18)10-3-9-26-11-8-24-14-26/h1-2,4-8,11-14,23H,3,9-10H2,(H,25,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused IDH1 R132H mutant expressed in Escherichia coli using alpha-ketoglutarate as substrate preincuba...				Bioorg Med Chem 27: 589-603 (2019) Article DOI: 10.1016/j.bmc.2018.12.029 BindingDB Entry DOI: 10.7270/Q2DN48B6
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