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BDBM146174 US8957068, 226

SMILES: CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(C)(O)CC3)c(F)c2)n1

InChI Key: InChIKey=ONXIZYRKUYBMHT-LRNBXLLKNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 146174   
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))
BDBM146174
PNG
(US8957068, 226)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(C)(O)CC3)c(F)c2)n1
Show InChI InChI=1/C26H34FN5O4/c1-15(2)21-14-36-25(34)32(21)22-9-12-28-24(31-22)29-16(3)17-5-6-19(20(27)13-17)23(33)30-18-7-10-26(4,35)11-8-18/h5-6,9,12-13,15-16,18,21,35H,7-8,10-11,14H2,1-4H3,(H,30,33)(H,28,29,31)/t16-,18?,21+,26?/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 83.2n/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))
BDBM146174
PNG
(US8957068, 226)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)NC3CCC(C)(O)CC3)c(F)c2)n1
Show InChI InChI=1/C26H34FN5O4/c1-15(2)21-14-36-25(34)32(21)22-9-12-28-24(31-22)29-16(3)17-5-6-19(20(27)13-17)23(33)30-18-7-10-26(4,35)11-8-18/h5-6,9,12-13,15-16,18,21,35H,7-8,10-11,14H2,1-4H3,(H,30,33)(H,28,29,31)/t16-,18?,21+,26?/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 114n/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