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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 361.6
BDBM50051380

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

Found 1 hit 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)
BDBM50051380
PNG
((4aS,6S,8aS)-2-((E)-5,9-Dimethyl-deca-4,8-dienyl)-...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6@@H]2C([#6])([#6])[#6@@H](-[#8])-[#6]-[#6][C@]2([#6])[#6]-1
Show InChI InChI=1S/C24H43NO/c1-19(2)10-9-12-20(3)11-7-8-16-25-17-14-21-23(4,5)22(26)13-15-24(21,6)18-25/h10-11,21-22,26H,7-9,12-18H2,1-6H3/b20-11+/t21-,22+,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from Rat liver microsomes


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair