BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM65817'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65817
PNG
(2-[5-[(3,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl
Show InChI InChI=1S/C19H14Cl2N4OS/c20-15-7-6-13(10-16(15)21)12-27-19-24-23-18(17-5-1-2-8-22-17)25(19)11-14-4-3-9-26-14/h1-10H,11-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
40n/an/an/an/an/an/an/an/a



Departments of Molecular Medicine and Neuroscience, The Scripps Research Institute, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


ACS Med Chem Lett 8: 694-700 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00224
BindingDB Entry DOI: 10.7270/Q23N25TP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65817
PNG
(2-[5-[(3,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl
Show InChI InChI=1S/C19H14Cl2N4OS/c20-15-7-6-13(10-16(15)21)12-27-19-24-23-18(17-5-1-2-8-22-17)25(19)11-14-4-3-9-26-14/h1-10H,11-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2X63KC5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65817
PNG
(2-[5-[(3,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl
Show InChI InChI=1S/C19H14Cl2N4OS/c20-15-7-6-13(10-16(15)21)12-27-19-24-23-18(17-5-1-2-8-22-17)25(19)11-14-4-3-9-26-14/h1-10H,11-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 347n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HX1B4W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65817
PNG
(2-[5-[(3,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl
Show InChI InChI=1S/C19H14Cl2N4OS/c20-15-7-6-13(10-16(15)21)12-27-19-24-23-18(17-5-1-2-8-22-17)25(19)11-14-4-3-9-26-14/h1-10H,11-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 867n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2D50KDG
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65817
PNG
(2-[5-[(3,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl
Show InChI InChI=1S/C19H14Cl2N4OS/c20-15-7-6-13(10-16(15)21)12-27-19-24-23-18(17-5-1-2-8-22-17)25(19)11-14-4-3-9-26-14/h1-10H,11-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 870n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) assessed as increase in beta arrestin 2 recruitment


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
BindingDB Entry DOI: 10.7270/Q2668HN9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65817
PNG
(2-[5-[(3,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl
Show InChI InChI=1S/C19H14Cl2N4OS/c20-15-7-6-13(10-16(15)21)12-27-19-24-23-18(17-5-1-2-8-22-17)25(19)11-14-4-3-9-26-14/h1-10H,11-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 8.99E+3n/an/an/an/a



Departments of Molecular Medicine and Neuroscience, The Scripps Research Institute, Jupiter, Florida 33458, United States.

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as beta-arrestin2 recruitment by enzyme fragment complementation meth...


ACS Med Chem Lett 8: 694-700 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00224
BindingDB Entry DOI: 10.7270/Q23N25TP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65817
PNG
(2-[5-[(3,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl
Show InChI InChI=1S/C19H14Cl2N4OS/c20-15-7-6-13(10-16(15)21)12-27-19-24-23-18(17-5-1-2-8-22-17)25(19)11-14-4-3-9-26-14/h1-10H,11-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 870n/an/an/an/a



ShanghaiTech University

Curated by ChEMBL


Assay 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...


J Med Chem 61: 9841-9878 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00435
BindingDB Entry DOI: 10.7270/Q2F76GX7
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM65817
PNG
(2-[5-[(3,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl
Show InChI InChI=1S/C19H14Cl2N4OS/c20-15-7-6-13(10-16(15)21)12-27-19-24-23-18(17-5-1-2-8-22-17)25(19)11-14-4-3-9-26-14/h1-10H,11-12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.40E+5n/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of kappa opioid receptor (unknown origin) assessed as increase in beta arrestin 2 recruitment relative to control


Eur J Med Chem 183: (2019)


Article DOI: 10.1016/j.ejmech.2019.111701
BindingDB Entry DOI: 10.7270/Q2668HN9
More data for this
Ligand-Target Pair