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BDBM146157 US8957068, 209

SMILES: CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCCCC3)cc2)n1

InChI Key: InChIKey=ZPANBBAEJLXOHF-AURADERDNA-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 = 146157   
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))
BDBM146157
PNG
(US8957068, 209)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCCCC3)cc2)n1
Show InChI InChI=1/C25H33N5O3/c1-16(2)21-15-33-25(32)30(21)22-13-14-26-24(29-22)27-17(3)18-9-11-20(12-10-18)28-23(31)19-7-5-4-6-8-19/h9-14,16-17,19,21H,4-8,15H2,1-3H3,(H,28,31)(H,26,27,29)/t17-,21+/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 88.1n/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))
BDBM146157
PNG
(US8957068, 209)
Show SMILES CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(NC(=O)C3CCCCC3)cc2)n1
Show InChI InChI=1/C25H33N5O3/c1-16(2)21-15-33-25(32)30(21)22-13-14-26-24(29-22)27-17(3)18-9-11-20(12-10-18)28-23(31)19-7-5-4-6-8-19/h9-14,16-17,19,21H,4-8,15H2,1-3H3,(H,28,31)(H,26,27,29)/t17-,21+/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 88n/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