BindingDB logo
myBDB logout

BDBM50132617 2-{1-[(E)-Ethoxyimino]-butyl}-3-hydroxy-5-(tetrahydro-thiopyran-3-yl)-cyclohex-2-enone::CHEMBL113137

SMILES: CCC\C(=N/OCC)C1C(=O)CC(CC1=O)C1CCCSC1

InChI Key: InChIKey=GOJRHLKLWMSXMB-NBVRZTHBSA-N

Data: 1 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 1 hit for monomerid = 50132617   
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
Acetyl-CoA carboxylase 1 (ACC1)


(Rattus norvegicus (Rat))
BDBM50132617
PNG
(2-{1-[(E)-Ethoxyimino]-butyl}-3-hydroxy-5-(tetrahy...)
Show SMILES CCC\C(=N/OCC)C1C(=O)CC(CC1=O)C1CCCSC1
Show InChI InChI=1S/C17H27NO3S/c1-3-6-14(18-21-4-2)17-15(19)9-13(10-16(17)20)12-7-5-8-22-11-12/h12-13,17H,3-11H2,1-2H3/b18-14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat heart ACC by the carboxylation of acetyl-CoA with [14C]-HCO3- to form [14C]-malonyl CoA; 18-40 u...


Bioorg Med Chem Lett 13: 3237-42 (2003)


Article DOI: 10.1016/s0960-894x(03)00664-4
BindingDB Entry DOI: 10.7270/Q2TT4QB1
More data for this
Ligand-Target Pair