BDBM44830 2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole::2-(2-phenoxyethylsulfanyl)-1H-benzimidazole::2-(2-phenoxyethylthio)-1H-benzimidazole::MLS000122796::SMR000120173::cid_1944110

SMILES C(CSc1nc2ccccc2[nH]1)Oc1ccccc1

InChI Key InChIKey=UEYUFQWEHMSHIX-UHFFFAOYSA-N

Data  3 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 44830   

TargetMultidrug resistance-associated protein 1(Homo sapiens (Human))
Srmlsc

Curated by PubChem BioAssay
LigandPNGBDBM44830(2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole | 2-...)
Affinity DataEC50:  5.54E+3nMAssay Description:Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetVoltage-dependent T-type calcium channel subunit alpha-1H(Homo sapiens (Human))
Vanderbilt Screening Center For Gpcrs, Ion Channels And Transporters

Curated by PubChem BioAssay
LigandPNGBDBM44830(2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole | 2-...)
Affinity DataEC50:  5.96E+3nMAssay Description:Assay Provider: Xinmin Xie Assay Provider Affiliation: Bioscience Division, SRI International, Menlo Park, CA Grant Title: HTS Assay for Cav3 T-Type ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetAndrogen receptor(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM44830(2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole | 2-...)
Affinity DataIC50:  4.20E+3nMAssay Description:Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB after 3 days by eGFP transcriptional assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM44830(2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole | 2-...)
Affinity DataIC50:  2.10E+4nMAssay Description:Inhibition of BF3 site of androgen receptor in enzalutamide-resistant human LNCAP cells assessed as reduction in PSA level after 3 daysMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
University Of British Columbia

Curated by ChEMBL
LigandPNGBDBM44830(2-(2-Phenoxy-ethylsulfanyl)-1H-benzoimidazole | 2-...)
Affinity DataIC50:  4.30E+3nMAssay Description:Inhibition of BF3 site of androgen receptor in human LNCAP cells expressing ARR2PB assessed as reduction in PSA level after 3 daysMore data for this Ligand-Target Pair