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BDBM146126 US8957068, 161

SMILES: CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CC2)n1

InChI Key: InChIKey=HOMZIEYVBDLNSW-CMPLNLGQSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 146126   
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))
BDBM146126
PNG
(US8957068, 161)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CC2)n1
Show InChI InChI=1S/C15H22N4O2/c1-9(2)12-8-21-15(20)19(12)13-6-7-16-14(18-13)17-10(3)11-4-5-11/h6-7,9-12H,4-5,8H2,1-3H3,(H,16,17,18)/t10-,12+/m0/s1
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Similars

US Patent
n/an/a 6.50E+3n/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