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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Squalene epoxidase' AND taxid = 9823   
Target
(Institution)
LigandTarget
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 epoxidase


(Sus scrofa)
BDBM50251007
PNG
(CHEMBL511506 | trisnorsqualene cyclopropylamine)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCCNC1CC1
Show InChI InChI=1S/C30H51N/c1-25(2)13-9-16-28(5)19-10-17-26(3)14-7-8-15-27(4)18-11-20-29(6)21-12-24-31-30-22-23-30/h13-15,19-20,30-31H,7-12,16-18,21-24H2,1-6H3/b26-14+,27-15+,28-19+,29-20+
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KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of pig squalene epoxidase


J Nat Prod 64: 1010-4 (2001)

More data for this
Ligand-Target Pair
Squalene epoxidase


(Sus scrofa)
BDBM50015507
PNG
(4,8,13,17,21-Pentamethyl-docosa-4,8,12,16,20-penta...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCCO
Show InChI InChI=1S/C27H46O/c1-23(2)13-9-16-26(5)19-10-17-24(3)14-7-8-15-25(4)18-11-20-27(6)21-12-22-28/h13-15,19-20,28H,7-12,16-18,21-22H2,1-6H3/b24-14+,25-15+,26-19+,27-20+
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Shizuoka

Curated by ChEMBL


Assay Description
Inhibition of pig squalene epoxidase


J Nat Prod 64: 1010-4 (2001)

More data for this
Ligand-Target Pair