BDBM50203812 CHEMBL221753::benzethonium hydrochloride::cid_8478

SMILES CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1

InChI Key InChIKey=SIYLLGKDQZGJHK-UHFFFAOYSA-N

Data  1 KI  9 IC50  2 EC50

  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 12 hits for monomerid = 50203812   

TargetKiSS-1 receptor(Homo sapiens (Human))
University Of Minnesota Health Science Center

Curated by ChEMBL
LigandPNGBDBM50203812(CHEMBL221753 | benzethonium hydrochloride | cid_84...)
Affinity DataKi:  3.60E+3nMAssay Description:Displacement of [125]metastin from metastin receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCaspase-9(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50203812(CHEMBL221753 | benzethonium hydrochloride | cid_84...)
Affinity DataIC50:  4.67E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50203812(CHEMBL221753 | benzethonium hydrochloride | cid_84...)
Affinity DataIC50:  2.35E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetApoptotic protease-activating factor 1(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50203812(CHEMBL221753 | benzethonium hydrochloride | cid_84...)
Affinity DataIC50: >1.00E+5nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMelanocortin receptor 4(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50203812(CHEMBL221753 | benzethonium hydrochloride | cid_84...)
Affinity DataEC50: >8.92E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetChaperonin GroEL(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50203812(CHEMBL221753 | benzethonium hydrochloride | cid_84...)
Affinity DataIC50: >2.50E+5nMAssay Description:Inhibition of ATPase activity of Escherichia coli GroEL expressed in Escherichia coliDH5alpha incubated for 60 mins using ATP by spectrometric analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target60 kDa heat shock protein, mitochondrial(Homo sapiens)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50203812(CHEMBL221753 | benzethonium hydrochloride | cid_84...)
Affinity DataIC50:  2.30E+4nMAssay Description:Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThiosulfate sulfurtransferase(Homo sapiens)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50203812(CHEMBL221753 | benzethonium hydrochloride | cid_84...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of native rhodanese (unknown origin) assessed as reduction in rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50203812(CHEMBL221753 | benzethonium hydrochloride | cid_84...)
Affinity DataIC50:  2.40E+4nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCo-chaperonin GroES(Escherichia coli)
Indiana University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50203812(CHEMBL221753 | benzethonium hydrochloride | cid_84...)
Affinity DataIC50:  2.60E+4nMAssay Description:Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUbiquitin-conjugating enzyme E2 N(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50203812(CHEMBL221753 | benzethonium hydrochloride | cid_84...)
Affinity DataIC50: >2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDelta-type opioid receptor(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM50203812(CHEMBL221753 | benzethonium hydrochloride | cid_84...)
Affinity DataEC50: >9.25E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRISMC) Center Affiliation: The Scripps Research Institute, TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay