null

SMILES: CC(C)COc1ccc(cc1C)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C

InChI Key: InChIKey=OKXLHEMRMSXABA-PKOBYXMFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 146418   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM146418 (US8957068, 546) Show SMILES CC(C)COc1ccc(cc1C)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r| Show InChI InChI=1S/C23H32N4O3/c1-14(2)12-29-20-8-7-18(11-16(20)5)17(6)25-22-24-10-9-21(26-22)27-19(15(3)4)13-30-23(27)28/h7-11,14-15,17,19H,12-13H2,1-6H3,(H,24,25,26)/t17-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	42.3	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))	BDBM146418 (US8957068, 546) Show SMILES CC(C)COc1ccc(cc1C)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C |r| Show InChI InChI=1S/C23H32N4O3/c1-14(2)12-29-20-8-7-18(11-16(20)5)17(6)25-22-24-10-9-21(26-22)27-19(15(3)4)13-30-23(27)28/h7-11,14-15,17,19H,12-13H2,1-6H3,(H,24,25,26)/t17-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	59	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