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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 = 'BDBM50204453'   
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))
BDBM50204453
PNG
(CHEMBL263096 | MCL-444)
Show SMILES O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:26:25:14.30.15:17,31:30:17:25.23.24|
Show InChI InChI=1S/C28H34N2O2/c31-27(29-18-20-6-2-1-3-7-20)32-23-12-11-22-16-26-24-8-4-5-13-28(24,25(22)17-23)14-15-30(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26H,4-5,8-10,13-16,18-19H2,(H,29,31)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.140n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human kappa opioid receptors expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50204453
PNG
(CHEMBL263096 | MCL-444)
Show SMILES O=C(NCc1ccccc1)Oc1ccc2CC3C4CCCCC4(CCN3CC3CC3)c2c1 |TLB:26:25:14.30.15:17,31:30:17:25.23.24|
Show InChI InChI=1S/C28H34N2O2/c31-27(29-18-20-6-2-1-3-7-20)32-23-12-11-22-16-26-24-8-4-5-13-28(24,25(22)17-23)14-15-30(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26H,4-5,8-10,13-16,18-19H2,(H,29,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at huma kappa opioid receptor expressed in CHO cells assessed as U50488-stimulated of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair