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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 = 'BDBM50365855'   
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))
BDBM50365855
PNG
(CHEMBL1957843)
Show SMILES CC[C@]1([C@H]2CN(CC3Cc4ccccc4C3O)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C24H30N2O3S/c1-3-24(18-8-6-9-19(12-18)25-30(2,28)29)21-14-26(15-22(21)24)13-17-11-16-7-4-5-10-20(16)23(17)27/h4-10,12,17,21-23,25,27H,3,11,13-15H2,1-2H3/t17?,21-,22+,23?,24+
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.0800n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor by GTP-gamma S binding assay


Bioorg Med Chem Lett 22: 2200-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50365855
PNG
(CHEMBL1957843)
Show SMILES CC[C@]1([C@H]2CN(CC3Cc4ccccc4C3O)C[C@@H]12)c1cccc(NS(C)(=O)=O)c1 |r|
Show InChI InChI=1S/C24H30N2O3S/c1-3-24(18-8-6-9-19(12-18)25-30(2,28)29)21-14-26(15-22(21)24)13-17-11-16-7-4-5-10-20(16)23(17)27/h4-10,12,17,21-23,25,27H,3,11,13-15H2,1-2H3/t17?,21-,22+,23?,24+
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.100n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor


Bioorg Med Chem Lett 22: 2200-3 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.099
BindingDB Entry DOI: 10.7270/Q2M90958
More data for this
Ligand-Target Pair