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SMILES CC(C)=CCC\C(C)=C\CNCCNC1C2CC3CC(C2)CC1C3

InChI Key InChIKey=JFIBVDBTCDTBRH-REZTVBANSA-N

PDB links: 2 PDB IDs match this monomer.

  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 6 hits for monomerid = 50388398   

Target4,4'-diapophytoene synthase(Staphylococcus aureus)
University of Illinois at Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50388398(CHEMBL561057 | SQ-109)copy SMILEScopy InChI
Affinity DataKi:  360nMAssay Description:Inhibition of Staphylococcus aureus ATCC 27659 dehydrosqualene synthase expressed in Escherichia coli BL21(DE3) after 30 mins by spectrophotometric a...More data for this Ligand-Target Pair
TargetSqualene synthase(Homo sapiens (Human))
University of Illinois at Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50388398(CHEMBL561057 | SQ-109)copy SMILEScopy InChI
Affinity DataKi:  740nMAssay Description:Inhibition of human squalene synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z320QHPubMed
Target4,4'-diapophytoene synthase(Staphylococcus aureus)
University of Illinois at Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50388398(CHEMBL561057 | SQ-109)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of Staphylococcus aureus CrtMMore data for this Ligand-Target Pair
TargetGeranylgeranyl pyrophosphate synthase(Homo sapiens (Human))
University of Illinois at Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50388398(CHEMBL561057 | SQ-109)copy SMILEScopy InChI
Affinity DataIC50: 4.50E+3nMAssay Description:Inhibition of human geranylgeranyl diphosphate synthaseMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27P90ZNPubMed
TargetSqualene synthase(Homo sapiens (Human))
University of Illinois at Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50388398(CHEMBL561057 | SQ-109)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human SQSMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27P90ZNPubMed