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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 347.5
BDBM50051383

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)
BDBM50051383
PNG
((4aR,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]2-[#6@H](-[#6]-[#6]-[#6@H](-[#8])C2([#6])[#6])-[#6]-1
Show InChI InChI=1S/C23H41NO/c1-18(2)9-8-11-19(3)10-6-7-15-24-16-14-21-20(17-24)12-13-22(25)23(21,4)5/h9-10,20-22,25H,6-8,11-17H2,1-5H3/b19-10+/t20-,21-,22+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/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