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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 = 'BDBM50177681'   
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))
BDBM50177681
PNG
(CHEMBL383491 | N-(2-(4-(3-hydroxyphenyl)-trans-4,5...)
Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCNC(C)=O)C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H34N2O2/c1-19-18-27(15-13-21-8-5-4-6-9-21)23(12-14-26-20(2)28)17-25(19,3)22-10-7-11-24(29)16-22/h4-11,16,19,23,29H,12-15,17-18H2,1-3H3,(H,26,28)/t19-,23+,25+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned 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))
BDBM50177681
PNG
(CHEMBL383491 | N-(2-(4-(3-hydroxyphenyl)-trans-4,5...)
Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCNC(C)=O)C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C25H34N2O2/c1-19-18-27(15-13-21-8-5-4-6-9-21)23(12-14-26-20(2)28)17-25(19,3)22-10-7-11-24(29)16-22/h4-11,16,19,23,29H,12-15,17-18H2,1-3H3,(H,26,28)/t19-,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 130n/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