BDBM50388398 CHEMBL561057::SQ-109

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

InChI Key InChIKey=JFIBVDBTCDTBRH-REZTVBANSA-N

Data  2 KI  4 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   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)
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)
Affinity DataKi:  740nMAssay Description:Inhibition of human squalene synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Homo sapiens (Human))
Federal University Of Parana

Curated by ChEMBL
LigandPNGBDBM50388398(CHEMBL561057 | SQ-109)
Affinity DataIC50:  5.50E+3nMAssay Description:Inhibition of ABCG2 (unknown origin) expressed in human HEK293 cells membrane vesicles assessed inhibition of BCRP- mediated transport of 3[H]-E1S fo...More data for this Ligand-Target Pair
In DepthDetails PubMed
Target4,4'-diapophytoene synthase(Staphylococcus aureus)
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50388398(CHEMBL561057 | SQ-109)
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)
Affinity DataIC50:  4.50E+3nMAssay Description:Inhibition of human geranylgeranyl diphosphate synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSqualene synthase(Homo sapiens (Human))
University Of Illinois At Urbana-Champaign

Curated by ChEMBL
LigandPNGBDBM50388398(CHEMBL561057 | SQ-109)
Affinity DataIC50:  1.00E+5nMAssay Description:Inhibition of human SQSMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed