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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 492.3
BDBM50018517

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
Squalene monooxygenase


(Homo sapiens (Human))
BDBM50018517
PNG
(1,1,22,22-Tetrachloro-5,9,14,18-tetramethyl-docosa...)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\Cl)Cl)=[#6]/[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/Cl)Cl
Show InChI InChI=1S/C26H38Cl4/c1-21(13-7-15-23(3)17-9-19-25(27)28)11-5-6-12-22(2)14-8-16-24(4)18-10-20-26(29)30/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/b21-11+,22-12+,23-15+,24-16+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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
Lanosterol synthase


(Rattus norvegicus)
BDBM50018517
PNG
(1,1,22,22-Tetrachloro-5,9,14,18-tetramethyl-docosa...)
Show SMILES [#6]\[#6](-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\Cl)Cl)=[#6]/[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/Cl)Cl
Show InChI InChI=1S/C26H38Cl4/c1-21(13-7-15-23(3)17-9-19-25(27)28)11-5-6-12-22(2)14-8-16-24(4)18-10-20-26(29)30/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3/b21-11+,22-12+,23-15+,24-16+
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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