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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 408.7
BDBM50018526

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Lanosterol synthase


(Rattus norvegicus)
BDBM50018526
PNG
((4,8,13,17,21-Pentamethyl-docosa-4,8,12,16,20-pent...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6]-1/[#6]-[#6]-1
Show InChI InChI=1S/C30H48/c1-25(2)13-9-16-28(5)19-10-17-26(3)14-7-8-15-27(4)18-11-20-29(6)21-12-22-30-23-24-30/h13-15,19-20,22H,7-12,16-18,21,23-24H2,1-6H3/b26-14+,27-15+,28-19+,29-20+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase in pig liver


J Med Chem 32: 2152-8 (1989)


BindingDB Entry DOI: 10.7270/Q21835HM
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens (Human))
BDBM50018526
PNG
((4,8,13,17,21-Pentamethyl-docosa-4,8,12,16,20-pent...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6]-1/[#6]-[#6]-1
Show InChI InChI=1S/C30H48/c1-25(2)13-9-16-28(5)19-10-17-26(3)14-7-8-15-27(4)18-11-20-29(6)21-12-22-30-23-24-30/h13-15,19-20,22H,7-12,16-18,21,23-24H2,1-6H3/b26-14+,27-15+,28-19+,29-20+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against Squalene Epoxidase in pig liver


J Med Chem 32: 2152-8 (1989)


BindingDB Entry DOI: 10.7270/Q21835HM
More data for this
Ligand-Target Pair