BDBM75401 2-[5-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::2-[5-[[4-fluoro-2-(trifluoromethyl)benzyl]thio]-4-(2-thenyl)-1,2,4-triazol-3-yl]pyridine::2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methylsulfanyl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::2-[5-[[4-fluoro-2-(trifluoromethyl)phenyl]methylthio]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::KSC-5-289H2::KUC104205N::cid_44620911

SMILES Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(c1)C(F)(F)F

InChI Key InChIKey=XOGVBSMKUGDSAF-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 = 75401   

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

Curated by PubChem BioAssay
LigandPNGBDBM75401(2-[5-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methy...)
Affinity DataEC50:  4.46E+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(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM75401(2-[5-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methy...)
Affinity DataEC50:  2.26E+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(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM75401(2-[5-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methy...)
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(Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM75401(2-[5-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methy...)
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