BDBM146058 US8957068, 93

SMILES: CC(C)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2ccccc2)n1

InChI Key: InChIKey=YURLMTCLTRJEOO-GOEBONIOSA-N

Data: 1 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 1 hit for monomerid = 146058   

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))	BDBM146058 (US8957068, 93) Show SMILES CC(C)[C@H]1COC(=O)N1c1cc(C)nc(N[C@@H](C)c2ccccc2)n1 Show InChI InChI=1S/C19H24N4O2/c1-12(2)16-11-25-19(24)23(16)17-10-13(3)20-18(22-17)21-14(4)15-8-6-5-7-9-15/h5-10,12,14,16H,11H2,1-4H3,(H,20,21,22)/t14-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	655	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