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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu/kappa/delta' and Ligand = 'BDBM50135796'   
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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135796
PNG
(1-[17-cyclobutylmethyl-(1R,9R,10R)-17-azatetracycl...)
Show SMILES COC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C32H47NO4/c1-36-30(34)14-6-4-2-3-5-7-15-31(35)37-26-17-16-25-21-29-27-13-8-9-18-32(27,28(25)22-26)19-20-33(29)23-24-11-10-12-24/h16-17,22,24,27,29H,2-15,18-21,23H2,1H3/t27-,29+,32+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.0700n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes was determined using [3H]U-69593 radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50135796
PNG
(1-[17-cyclobutylmethyl-(1R,9R,10R)-17-azatetracycl...)
Show SMILES COC(=O)CCCCCCCCC(=O)Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C32H47NO4/c1-36-30(34)14-6-4-2-3-5-7-15-31(35)37-26-17-16-25-21-29-27-13-8-9-18-32(27,28(25)22-26)19-20-33(29)23-24-11-10-12-24/h16-17,22,24,27,29H,2-15,18-21,23H2,1H3/t27-,29+,32+/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 5.70n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity in stimulating [35S]-GTP-gamma S binding mediated by the Opioid receptor kappa 1 in chinese Hamster Ovary (CHO) cell membranes wa...


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair