Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM146385'   

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))	BDBM146385 (US8957068, 513) Show SMILES C[C@H](Nc1nc(F)cc(n1)N1C(=O)OCC1(C)C)c1nc(no1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H18ClFN6O3/c1-10(16-25-15(26-30-16)11-4-6-12(20)7-5-11)22-17-23-13(21)8-14(24-17)27-18(28)29-9-19(27,2)3/h4-8,10H,9H2,1-3H3,(H,22,23,24)/t10-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	33.6	n/a	n/a	n/a	n/a	7.5	25
Novartis AG US Patent					Assay Description The IDH1 (R132H) mutant catalyzes the reduced form of NADP+ (NADPH) and α-ketoglutarate (α-KG) to form nicotinamide adenine dinucleotide ph...				US Patent US8957068 (2015) BindingDB Entry DOI: 10.7270/Q2TD9W28
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