BindingDB logo
myBDB logout

Articleid 50029647

Compile data set for download or QSAR
Found 4 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 monooxygenase


(Homo sapiens)
BDBM50286540
PNG
(1N-[20-(6-aminohexylamino)-4,8,13,17-tetramethyl-(...)
Show SMILES C\C(CCCNCCCCCCN)=C/CC\C(C)=C\CCC=C(C)CC\C=C(/C)CCCNC1CC1
Show InChI InChI=1S/C33H61N3/c1-29(17-11-19-31(3)21-13-27-35-26-10-6-5-9-25-34)15-7-8-16-30(2)18-12-20-32(4)22-14-28-36-33-23-24-33/h15-16,19-20,33,35-36H,5-14,17-18,21-28,34H2,1-4H3/b29-15+,30-16+,31-19+,32-20+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
2.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against pig Squalene epoxidase at pH 7.4


Bioorg Med Chem Lett 5: 481-486 (1995)


Article DOI: 10.1016/0960-894X(95)00058-2
BindingDB Entry DOI: 10.7270/Q2HH6K2N
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Rattus norvegicus)
BDBM50286539
PNG
(1N-(6-aminohexyl)-4,8,13,17,20N-pentamethyl-(4E,8E...)
Show SMILES CNCCC\C(C)=C\CCC(C)=CCC\C=C(/C)CC\C=C(/C)CCCNCCCCCCN
Show InChI InChI=1S/C31H59N3/c1-28(18-12-20-30(3)22-14-25-33-5)16-8-9-17-29(2)19-13-21-31(4)23-15-27-34-26-11-7-6-10-24-32/h16-17,20-21,33-34H,6-15,18-19,22-27,32H2,1-5H3/b28-16+,29-17+,30-20+,31-21+
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against rat Squalene epoxidase


Bioorg Med Chem Lett 5: 481-486 (1995)


Article DOI: 10.1016/0960-894X(95)00058-2
BindingDB Entry DOI: 10.7270/Q2HH6K2N
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50286538
PNG
(6,11,15,19-tetramethyl-2-(4-methyl-3-pentenyl)-(2Z...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC=C(C)CC\C=C(/CN)CCC=C(C)C
Show InChI InChI=1S/C30H51N/c1-25(2)14-10-18-29(7)20-12-19-27(5)16-8-9-17-28(6)21-13-23-30(24-31)22-11-15-26(3)4/h14-17,20,23H,8-13,18-19,21-22,24,31H2,1-7H3/b27-16+,28-17+,29-20+,30-23-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 3.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against pig Squalene epoxidase at pH 8.8


Bioorg Med Chem Lett 5: 481-486 (1995)


Article DOI: 10.1016/0960-894X(95)00058-2
BindingDB Entry DOI: 10.7270/Q2HH6K2N
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50286538
PNG
(6,11,15,19-tetramethyl-2-(4-methyl-3-pentenyl)-(2Z...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC=C(C)CC\C=C(/CN)CCC=C(C)C
Show InChI InChI=1S/C30H51N/c1-25(2)14-10-18-29(7)20-12-19-27(5)16-8-9-17-28(6)21-13-23-30(24-31)22-11-15-26(3)4/h14-17,20,23H,8-13,18-19,21-22,24,31H2,1-7H3/b27-16+,28-17+,29-20+,30-23-
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 1.09E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against pig Squalene epoxidase at pH 7.4


Bioorg Med Chem Lett 5: 481-486 (1995)


Article DOI: 10.1016/0960-894X(95)00058-2
BindingDB Entry DOI: 10.7270/Q2HH6K2N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%