BDBM65817 2-[5-[(3,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2,4-triazol-3-yl]pyridine::2-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine::2-[5-[(3,4-dichlorophenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]pyridine::KSC-5-240::KUC103893N::ML138::cid_44601470

SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl

InChI Key InChIKey=QDXGAJIGONMOCL-UHFFFAOYSA-N

Data  1 KI  1 IC50  8 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 10 hits for monomerid = 65817   

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

Curated by PubChem BioAssay
LigandPNGBDBM65817(KSC-5-240 | ML138 | KUC103893N | cid_44601470 | 2-...)
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
LigandPNGBDBM65817(KSC-5-240 | ML138 | KUC103893N | cid_44601470 | 2-...)
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
LigandPNGBDBM65817(KSC-5-240 | ML138 | KUC103893N | cid_44601470 | 2-...)
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
LigandPNGBDBM65817(KSC-5-240 | ML138 | KUC103893N | cid_44601470 | 2-...)
Affinity DataEC50:  347nMAssay 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
LigandPNGBDBM65817(KSC-5-240 | ML138 | KUC103893N | cid_44601470 | 2-...)
Affinity DataEC50:  867nMAssay 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
LigandPNGBDBM65817(KSC-5-240 | ML138 | KUC103893N | cid_44601470 | 2-...)
Affinity DataEC50:  8.99E+3nMAssay Description:Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as beta-arrestin2 recruitment by enzyme fragment complementation meth...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2019
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM65817(KSC-5-240 | ML138 | KUC103893N | cid_44601470 | 2-...)
Affinity DataEC50:  870nMAssay Description:Agonist activity at human kappa opioid receptor expressed in human U2OS cells co-transfected with EFC and beta-arrestin-2 assessed as increase in bet...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2021
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM65817(KSC-5-240 | ML138 | KUC103893N | cid_44601470 | 2-...)
Affinity DataEC50:  1.40E+5nMAssay Description:Inhibition of kappa opioid receptor (unknown origin) assessed as increase in beta arrestin 2 recruitment relative to controlMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM65817(KSC-5-240 | ML138 | KUC103893N | cid_44601470 | 2-...)
Affinity DataEC50:  870nMAssay Description:Inhibition of kappa opioid receptor (unknown origin) assessed as increase in beta arrestin 2 recruitmentMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM65817(KSC-5-240 | ML138 | KUC103893N | cid_44601470 | 2-...)
Affinity DataKi:  40nMAssay Description:Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2019
Entry Details Article
PubMed