BDBM146275 US8957068, 341::US8957068, 342

SMILES: CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(c(F)c2)-n2cc(C)cn2)n1

InChI Key: InChIKey=QXWVWXLWPUQHOJ-XCWJXAQQSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 146275   

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))	BDBM146275 (US8957068, 341 | US8957068, 342) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(c(F)c2)-n2cc(C)cn2)n1 |r,w:15.16| Show InChI InChI=1S/C22H25FN6O2/c1-13(2)19-12-31-22(30)29(19)20-7-8-24-21(27-20)26-15(4)16-5-6-18(17(23)9-16)28-11-14(3)10-25-28/h5-11,13,15,19H,12H2,1-4H3,(H,24,26,27)/t15?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	29	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
Isocitrate dehydrogenase [NADP] cytoplasmic (Homo sapiens (Human))	BDBM146275 (US8957068, 341 | US8957068, 342) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(c(F)c2)-n2cc(C)cn2)n1 |r,w:15.16| Show InChI InChI=1S/C22H25FN6O2/c1-13(2)19-12-31-22(30)29(19)20-7-8-24-21(27-20)26-15(4)16-5-6-18(17(23)9-16)28-11-14(3)10-25-28/h5-11,13,15,19H,12H2,1-4H3,(H,24,26,27)/t15?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	27.8	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))	BDBM146275 (US8957068, 341 | US8957068, 342) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ccc(c(F)c2)-n2cc(C)cn2)n1 |r,w:15.16| Show InChI InChI=1S/C22H25FN6O2/c1-13(2)19-12-31-22(30)29(19)20-7-8-24-21(27-20)26-15(4)16-5-6-18(17(23)9-16)28-11-14(3)10-25-28/h5-11,13,15,19H,12H2,1-4H3,(H,24,26,27)/t15?,19-/m1/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.13E+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