null

SMILES: CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C3CC3)cc2)n1

InChI Key: InChIKey=TXOPSTNTARAYCH-WMZHIEFXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 146176   

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))	BDBM146176 (US8957068, 228) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C3CC3)cc2)n1 |r| Show InChI InChI=1S/C26H36N6O2/c1-18(2)23-17-34-26(33)32(23)24-10-11-27-25(29-24)28-19(3)21-6-4-20(5-7-21)16-30-12-14-31(15-13-30)22-8-9-22/h4-7,10-11,18-19,22-23H,8-9,12-17H2,1-3H3,(H,27,28,29)/t19-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	46.3	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))	BDBM146176 (US8957068, 228) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(CC3)C3CC3)cc2)n1 |r| Show InChI InChI=1S/C26H36N6O2/c1-18(2)23-17-34-26(33)32(23)24-10-11-27-25(29-24)28-19(3)21-6-4-20(5-7-21)16-30-12-14-31(15-13-30)22-8-9-22/h4-7,10-11,18-19,22-23H,8-9,12-17H2,1-3H3,(H,27,28,29)/t19-,23+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	67	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