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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Squalene synthetase' and Ligand = 'BDBM50357696'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Squalene synthetase


(Rattus norvegicus)
BDBM50357696
PNG
(CHEMBL1915483)
Show SMILES CN1CC(O)(Oc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19NO2/c1-22-15-21(23,24-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,23H,15H2,1H3
PDB
MMDB

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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of rat microsomal squalene synthase activity assessed as conversion of [3H]FPP to squalene


J Med Chem 54: 5583-91 (2011)


Article DOI: 10.1021/jm200763k
BindingDB Entry DOI: 10.7270/Q2X92BPZ
More data for this
Ligand-Target Pair
Squalene synthetase


(Rattus norvegicus)
BDBM50357696
PNG
(CHEMBL1915483)
Show SMILES CN1CC(O)(Oc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19NO2/c1-22-15-21(23,24-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,23H,15H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.28E+4n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as decrease in conversion of [3H]FPP to squalene


J Med Chem 57: 2568-81 (2014)


Article DOI: 10.1021/jm401842e
BindingDB Entry DOI: 10.7270/Q2B56M8R
More data for this
Ligand-Target Pair