BDBM75399 2-[4-(2-thenyl)-5-[(2,3,4-trifluorobenzyl)thio]-1,2,4-triazol-3-yl]pyridine::2-[4-(thiophen-2-ylmethyl)-5-[(2,3,4-trifluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine::2-[4-(thiophen-2-ylmethyl)-5-[(2,3,4-trifluorophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine::2-[4-(thiophen-2-ylmethyl)-5-[[2,3,4-tris(fluoranyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]pyridine::KSC-5-289F12::KUC104203N::cid_44620921

SMILES Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1F

InChI Key InChIKey=UKOZMUQTAPXJFT-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 75399   

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

Curated by PubChem BioAssay
LigandPNGBDBM75399(2-[4-(2-thenyl)-5-[(2,3,4-trifluorobenzyl)thio]-1,...)
Affinity DataEC50:  3.04E+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 DepthDetails PCBioAssay
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM75399(2-[4-(2-thenyl)-5-[(2,3,4-trifluorobenzyl)thio]-1,...)
Affinity DataEC50:  1.73E+3nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) Net...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetDelta-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM75399(2-[4-(2-thenyl)-5-[(2,3,4-trifluorobenzyl)thio]-1,...)
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, CA...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetMu-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM75399(2-[4-(2-thenyl)-5-[(2,3,4-trifluorobenzyl)thio]-1,...)
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 DepthDetails PCBioAssay