null

SMILES: CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3O)c(F)c2)n1

InChI Key: InChIKey=SKCUYSWGBYHMAZ-NOOVBMIQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 146461   

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))	BDBM146461 (US8957068, 593) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3O)c(F)c2)n1 |r| Show InChI InChI=1S/C25H32FN5O4/c1-14(2)20-13-35-25(34)31(20)22-10-11-27-24(30-22)28-15(3)16-8-9-17(18(26)12-16)23(33)29-19-6-4-5-7-21(19)32/h8-12,14-15,19-21,32H,4-7,13H2,1-3H3,(H,29,33)(H,27,28,30)/t15-,19+,20+,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	36	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))	BDBM146461 (US8957068, 593) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N[C@@H]3CCCC[C@@H]3O)c(F)c2)n1 |r| Show InChI InChI=1S/C25H32FN5O4/c1-14(2)20-13-35-25(34)31(20)22-10-11-27-24(30-22)28-15(3)16-8-9-17(18(26)12-16)23(33)29-19-6-4-5-7-21(19)32/h8-12,14-15,19-21,32H,4-7,13H2,1-3H3,(H,29,33)(H,27,28,30)/t15-,19+,20+,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	77	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