new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50278212'   
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))
BDBM50278212
PNG
((1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-14,17-dih...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC[C@@]35O |r|
Show InChI InChI=1S/C22H28N2O4/c23-20(26)14-5-4-13-10-16-22(27)7-6-15(25)19-21(22,17(13)18(14)28-19)8-9-24(16)11-12-2-1-3-12/h4-5,12,15-16,19,25,27H,1-3,6-11H2,(H2,23,26)/t15-,16+,19-,21-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.460n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 19: 2289-94 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.078
BindingDB Entry DOI: 10.7270/Q200030V
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50278212
PNG
((1S,5R,13R,14S,17S)-4-(cyclobutylmethyl)-14,17-dih...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](O)CC[C@@]35O |r|
Show InChI InChI=1S/C22H28N2O4/c23-20(26)14-5-4-13-10-16-22(27)7-6-15(25)19-21(22,17(13)18(14)28-19)8-9-24(16)11-12-2-1-3-12/h4-5,12,15-16,19,25,27H,1-3,6-11H2,(H2,23,26)/t15-,16+,19-,21-,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 220n/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 19: 2289-94 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.078
BindingDB Entry DOI: 10.7270/Q200030V
More data for this
Ligand-Target Pair