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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50034138   
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)
BDBM50357699
PNG
(CHEMBL1915486)
Show SMILES CN1CC(Sc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19NS/c1-22-15-21(23-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,21H,15H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/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)
BDBM50357698
PNG
(CHEMBL1915485)
Show SMILES CN1CC(Oc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19NO/c1-22-15-21(23-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-14,21H,15H2,1H3
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Article
PubMed
n/an/a 5.70E+3n/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
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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)
BDBM50357697
PNG
(CHEMBL1915484)
Show SMILES CN1CC(O)(Sc2ccccc12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19NOS/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
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Article
PubMed
n/an/a 1.65E+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)
BDBM50213690
PNG
(2-Biphenyl-4-yl-4-methyl-octahydro-benzo[1,4]oxazi...)
Show SMILES CN1CC(O)(OC2CCCCC12)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H25NO2/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/h2-4,7-8,11-14,19-20,23H,5-6,9-10,15H2,1H3
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Article
PubMed
n/an/a 3.60E+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