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BDBM146343 US8957068, 467

SMILES: CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(CC2)C(=O)C2CCOCC2)n1

InChI Key: InChIKey=YTFYXNDTWVFFED-FFXKXJTCNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 146343   
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))
BDBM146343
PNG
(US8957068, 467)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(CC2)C(=O)C2CCOCC2)n1
Show InChI InChI=1/C23H35N5O4/c1-15(2)19-14-32-23(30)28(19)20-4-9-24-22(26-20)25-16(3)17-5-10-27(11-6-17)21(29)18-7-12-31-13-8-18/h4,9,15-19H,5-8,10-14H2,1-3H3,(H,24,25,26)/t16-,19+/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9.82E+3n/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