BDBM146333 US8957068, 456

SMILES: CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(Oc3ccc(F)cc3F)cn2)n1

InChI Key: InChIKey=RGTTYTDAHHXXTQ-LRHAYUFXSA-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 = 146333   

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))	BDBM146333 (US8957068, 456) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(Oc3ccc(F)cc3F)cn2)n1 |r,w:15.16| Show InChI InChI=1S/C22H22F2N6O3/c1-12(2)17-11-32-22(31)30(17)19-6-7-25-21(29-19)28-13(3)20-26-9-15(10-27-20)33-18-5-4-14(23)8-16(18)24/h4-10,12-13,17H,11H2,1-3H3,(H,25,28,29)/t13?,17-/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	41	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))	BDBM146333 (US8957068, 456) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(NC(C)c2ncc(Oc3ccc(F)cc3F)cn2)n1 |r,w:15.16| Show InChI InChI=1S/C22H22F2N6O3/c1-12(2)17-11-32-22(31)30(17)19-6-7-25-21(29-19)28-13(3)20-26-9-15(10-27-20)33-18-5-4-14(23)8-16(18)24/h4-10,12-13,17H,11H2,1-3H3,(H,25,28,29)/t13?,17-/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	82	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