Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Isocitrate dehydrogenase [NADP] cytoplasmic' and Ligand = 'BDBM146160'   

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))	BDBM146160 (US8957068, 212) Show SMILES C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC11CCCC1)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C25H25FN4O3/c1-17(18-9-11-20(12-10-18)33-19-7-3-2-4-8-19)28-23-27-15-21(26)22(29-23)30-24(31)32-16-25(30)13-5-6-14-25/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3,(H,27,28,29)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	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
					More data for this Ligand-Target Pair
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM146160 (US8957068, 212) Show SMILES C[C@H](Nc1ncc(F)c(n1)N1C(=O)OCC11CCCC1)c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C25H25FN4O3/c1-17(18-9-11-20(12-10-18)33-19-7-3-2-4-8-19)28-23-27-15-21(26)22(29-23)30-24(31)32-16-25(30)13-5-6-14-25/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3,(H,27,28,29)/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	132	n/a	n/a	n/a	n/a	7.4	25
Novartis AG US Patent					Assay Description Mutant IDH1 R132H catalytic activity was monitored using the quantitative liquid chromatography/mass spectrometry (LC-MS) detection of 2-HG, a produc...				US Patent US8957068 (2015) BindingDB Entry DOI: 10.7270/Q2TD9W28
					More data for this Ligand-Target Pair