BDBM146470 US8957068, 602

SMILES: CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCC(F)CC3)c(F)c2)n1

InChI Key: InChIKey=SPMOACLZJLYUCA-MGPUTAFESA-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 = 146470   

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))	BDBM146470 (US8957068, 602) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCC(F)CC3)c(F)c2)n1 |r| Show InChI InChI=1S/C24H29F2N5O3/c1-14(2)20-13-34-24(33)31(20)21-6-9-27-23(29-21)28-15(3)16-4-5-18(19(26)12-16)22(32)30-10-7-17(25)8-11-30/h4-6,9,12,14-15,17,20H,7-8,10-11,13H2,1-3H3,(H,27,28,29)/t15-,20+/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	34	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))	BDBM146470 (US8957068, 602) Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)N3CCC(F)CC3)c(F)c2)n1 |r| Show InChI InChI=1S/C24H29F2N5O3/c1-14(2)20-13-34-24(33)31(20)21-6-9-27-23(29-21)28-15(3)16-4-5-18(19(26)12-16)22(32)30-10-7-17(25)8-11-30/h4-6,9,12,14-15,17,20H,7-8,10-11,13H2,1-3H3,(H,27,28,29)/t15-,20+/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	49	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