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PubMed code 8496942

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Squalene synthetase


(Rattus norvegicus)
BDBM50047895
PNG
(CHEMBL158588 | N-(4,8-Dimethyl-nona-3,7-dienyl)-N-...)
Show SMILES CN(CC\C=C(/C)CCC=C(C)C)\C=N\C\C=C(/C)CC\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C28H48N2/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29-23-30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,23H,9-12,15-16,18,21-22H2,1-8H3/b26-17+,27-19+,28-20+,29-23+
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Sandoz Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene synthetase in the presence of inorganic pyrophosphate in rat liver microsomal assay


J Med Chem 36: 631-2 (1993)


Article DOI: 10.1021/jm00057a013
BindingDB Entry DOI: 10.7270/Q2JD4VVS
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50047895
PNG
(CHEMBL158588 | N-(4,8-Dimethyl-nona-3,7-dienyl)-N-...)
Show SMILES CN(CC\C=C(/C)CCC=C(C)C)\C=N\C\C=C(/C)CC\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C28H48N2/c1-24(2)13-9-15-26(5)17-11-18-28(7)20-21-29-23-30(8)22-12-19-27(6)16-10-14-25(3)4/h13-14,17,19-20,23H,9-12,15-16,18,21-22H2,1-8H3/b26-17+,27-19+,28-20+,29-23+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



Sandoz Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against squalene synthetase in rat liver microsomal assay


J Med Chem 36: 631-2 (1993)


Article DOI: 10.1021/jm00057a013
BindingDB Entry DOI: 10.7270/Q2JD4VVS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%