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BDBM146396 US8957068, 524

SMILES: CCOC1(CC1)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C

InChI Key: InChIKey=AILGYZAYHCUUOO-FFXKXJTCNA-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 = 146396   
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))
BDBM146396
PNG
(US8957068, 524)
Show SMILES CCOC1(CC1)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C
Show InChI InChI=1/C23H30N4O3/c1-5-30-23(11-12-23)18-8-6-17(7-9-18)16(4)25-21-24-13-10-20(26-21)27-19(15(2)3)14-29-22(27)28/h6-10,13,15-16,19H,5,11-12,14H2,1-4H3,(H,24,25,26)/t16-,19+/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 21.1n/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))
BDBM146396
PNG
(US8957068, 524)
Show SMILES CCOC1(CC1)c1ccc(cc1)[C@H](C)Nc1nccc(n1)N1[C@H](COC1=O)C(C)C
Show InChI InChI=1/C23H30N4O3/c1-5-30-23(11-12-23)18-8-6-17(7-9-18)16(4)25-21-24-13-10-20(26-21)27-19(15(2)3)14-29-22(27)28/h6-10,13,15-16,19H,5,11-12,14H2,1-4H3,(H,24,25,26)/t16-,19+/s2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 26n/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