BDBM65823 2-[5-[(4-bromobenzyl)thio]-4-(2-thenyl)-1,2,4-triazol-3-yl]pyridine::2-[5-[(4-bromophenyl)methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::2-[5-[(4-bromophenyl)methylthio]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::KSC-5-247C::KUC103899N::cid_44601472

SMILES Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1

InChI Key InChIKey=XGRJREIUXZWFGH-UHFFFAOYSA-N

Data  1 IC50  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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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 = 65823   

TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM65823(cid_44601472 | 2-[5-[(4-bromophenyl)methylthio]-4-...)
Affinity DataIC50: 3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetMu-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM65823(cid_44601472 | 2-[5-[(4-bromophenyl)methylthio]-4-...)
Affinity DataEC50: >3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetDelta-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM65823(cid_44601472 | 2-[5-[(4-bromophenyl)methylthio]-4-...)
Affinity DataEC50: >3.20E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM65823(cid_44601472 | 2-[5-[(4-bromophenyl)methylthio]-4-...)
Affinity DataEC50:  1.10E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM65823(cid_44601472 | 2-[5-[(4-bromophenyl)methylthio]-4-...)
Affinity DataEC50:  1.85E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/11/2011
Entry Details
PCBioAssay