BDBM146260 US8957068, 312

SMILES: CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)ncc1F

InChI Key: InChIKey=BAJZGHBNJWWTFI-RQXXJAGISA-N

Data: 2 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 2 hits for monomerid = 146260   

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))	BDBM146260 (US8957068, 312) Show SMILES CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)ncc1F |r| Show InChI InChI=1S/C25H34FN5O3/c1-15(2)22-14-33-25(32)31(22)23-21(26)10-27-24(29-23)28-18(5)20-8-6-19(7-9-20)13-30-11-16(3)34-17(4)12-30/h6-10,15-18,22H,11-14H2,1-5H3,(H,27,28,29)/t16-,17+,18-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	BDBM146260 (US8957068, 312) Show SMILES CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)ncc1F |r| Show InChI InChI=1S/C25H34FN5O3/c1-15(2)22-14-33-25(32)31(22)23-21(26)10-27-24(29-23)28-18(5)20-8-6-19(7-9-20)13-30-11-16(3)34-17(4)12-30/h6-10,15-18,22H,11-14H2,1-5H3,(H,27,28,29)/t16-,17+,18-,22+/m0/s1	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	51	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