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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 359.5
BDBM50051372

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)
BDBM50051372
PNG
((6R,8aR)-2-((E)-5,9-Dimethyl-deca-4,8-dienyl)-5,5,...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@H](-[#8])-[#6]-[#6][C@@]2([#6])[#6]-1 |t:14|
Show InChI InChI=1S/C24H41NO/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/h10-11,14,22,26H,7-9,12-13,15-18H2,1-6H3/b20-11+/t22-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/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
Lanosterol synthase


(Rattus norvegicus)
BDBM50051372
PNG
((6R,8aR)-2-((E)-5,9-Dimethyl-deca-4,8-dienyl)-5,5,...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]=[#6]2C([#6])([#6])[#6@H](-[#8])-[#6]-[#6][C@@]2([#6])[#6]-1 |t:14|
Show InChI InChI=1S/C24H41NO/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/h10-11,14,22,26H,7-9,12-13,15-18H2,1-6H3/b20-11+/t22-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 600n/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