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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50130600'   
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))
BDBM50130600
PNG
(19-methoxy-24-methyl-26-[1-phenyl-(E)-ethylidene]-...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C(/C)c3ccccc3)c2c1O |TLB:36:35:16:8.11.10,4:5:16:8.11.10|
Show InChI InChI=1S/C34H34N2O2/c1-20(21-9-5-4-6-10-21)24-18-33-19-25-23-11-7-8-12-26(23)35-31(25)30(24)34(33)15-16-36(2)28(33)17-22-13-14-27(38-3)32(37)29(22)34/h4-14,28,30,35,37H,15-19H2,1-3H3/b24-20+/t28?,30-,33+,34+/m1/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
0.610n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Binding affinity in recombinant human Opioid receptor kappa 1 transfected into chinese hamster ovary cells by displacing [3H]U-69593 radioligand


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50130600
PNG
(19-methoxy-24-methyl-26-[1-phenyl-(E)-ethylidene]-...)
Show SMILES COc1ccc2CC3N(C)CC[C@@]4([C@@H]5\C(C[C@]34Cc3c5[nH]c4ccccc34)=C(/C)c3ccccc3)c2c1O |TLB:36:35:16:8.11.10,4:5:16:8.11.10|
Show InChI InChI=1S/C34H34N2O2/c1-20(21-9-5-4-6-10-21)24-18-33-19-25-23-11-7-8-12-26(23)35-31(25)30(24)34(33)15-16-36(2)28(33)17-22-13-14-27(38-3)32(37)29(22)34/h4-14,28,30,35,37H,15-19H2,1-3H3/b24-20+/t28?,30-,33+,34+/m1/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 82n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Agonistic activity towards Opioid receptor kappa 1


J Med Chem 46: 3174-7 (2003)


Article DOI: 10.1021/jm030801n
BindingDB Entry DOI: 10.7270/Q2TH8NGD
More data for this
Ligand-Target Pair