BDBM50055642 2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4-methyl-pent-3-enylsulfanyl)-pentadeca-3,7,11-trienyl]-oxirane::CHEMBL63335

SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#16]-[#6]-[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]-[#6]1-[#8]C1([#6])[#6]

InChI Key InChIKey=SFOVLQYHQCMFTD-HAHXBMLTSA-N

Data  2 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50055642   

TargetLanosterol synthase(Rattus norvegicus)
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM50055642(2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...)
Affinity DataKi:  180nMAssay Description:Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Rattus norvegicus)
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM50055642(2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...)
Affinity DataKi:  1.40E+3nMAssay Description:Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Rattus norvegicus)
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM50055642(2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...)
Affinity DataIC50:  1.00E+3nMAssay Description:Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from pig liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Homo sapiens (Human))
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM50055642(2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...)
Affinity DataIC50:  2.30nMAssay Description:Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from Candida albicansMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLanosterol synthase(Rattus norvegicus)
Simon Fraser University

Curated by ChEMBL
LigandPNGBDBM50055642(2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...)
Affinity DataIC50:  260nMAssay Description:Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed