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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-DKDWHXQFNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 146260   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Isocitrate dehydrogenase [NADP] cytoplasmic


(Homo sapiens (Human))
BDBM146260
PNG
(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
Show InChI InChI=1/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+/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 24n/an/an/an/a7.525



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
PNG
(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
Show InChI InChI=1/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+/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 51n/an/an/an/a7.425



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