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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50177683'   
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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50177683
PNG
(3-(2-alpha-butyl-trans-4,5-dimethyl-1-phenethylpip...)
Show SMILES CCCC[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C25H35NO/c1-4-5-13-23-18-25(3,22-12-9-14-24(27)17-22)20(2)19-26(23)16-15-21-10-7-6-8-11-21/h6-12,14,17,20,23,27H,4-5,13,15-16,18-19H2,1-3H3/t20-,23+,25+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of loperamide-stimulated [35S]GTP-gamma-S binding to membranes containing mu opioid receptor


Bioorg Med Chem Lett 16: 864-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4J1J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50177683
PNG
(3-(2-alpha-butyl-trans-4,5-dimethyl-1-phenethylpip...)
Show SMILES CCCC[C@@H]1C[C@](C)([C@@H](C)CN1CCc1ccccc1)c1cccc(O)c1
Show InChI InChI=1S/C25H35NO/c1-4-5-13-23-18-25(3,22-12-9-14-24(27)17-22)20(2)19-26(23)16-15-21-10-7-6-8-11-21/h6-12,14,17,20,23,27H,4-5,13,15-16,18-19H2,1-3H3/t20-,23+,25+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Inhibition of loperamide-stimulated [35S]GTPgammaS binding to membranes containing mu opioid receptor


Bioorg Med Chem Lett 16: 864-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.010
BindingDB Entry DOI: 10.7270/Q2RJ4J1J
More data for this
Ligand-Target Pair