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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 422.7
BDBM50018521

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)
BDBM50018521
PNG
(3,7,11,16,20,24-Hexamethyl-pentacosa-1,3,7,11,15,1...)
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](/[#6])-[#6]=[#6]
Show InChI InChI=1S/C31H50/c1-9-27(4)19-13-21-31(8)25-15-23-29(6)18-11-10-17-28(5)22-14-24-30(7)20-12-16-26(2)3/h9,16-19,24-25H,1,10-15,20-23H2,2-8H3/b27-19+,28-17+,29-18+,30-24+,31-25+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.00E+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))
BDBM50018521
PNG
(3,7,11,16,20,24-Hexamethyl-pentacosa-1,3,7,11,15,1...)
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](/[#6])-[#6]=[#6]
Show InChI InChI=1S/C31H50/c1-9-27(4)19-13-21-31(8)25-15-23-29(6)18-11-10-17-28(5)22-14-24-30(7)20-12-16-26(2)3/h9,16-19,24-25H,1,10-15,20-23H2,2-8H3/b27-19+,28-17+,29-18+,30-24+,31-25+
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