Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM50508252'   

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))	BDBM50508252 (CHEMBL4557985) Show SMILES CCCCn1nc(C2=C(C(=O)NC2=O)c2cn(CCCn3ccnc3)c3ccccc23)c2cccnc12 |t:7| Show InChI InChI=1S/C28H27N7O2/c1-2-3-15-35-26-20(9-6-11-30-26)25(32-35)24-23(27(36)31-28(24)37)21-17-34(22-10-5-4-8-19(21)22)14-7-13-33-16-12-29-18-33/h4-6,8-12,16-18H,2-3,7,13-15H2,1H3,(H,31,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	950	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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