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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 = 'BDBM50153129'   
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))
BDBM50153129
PNG
(1-[1-(Decahydro-naphthalen-2-yl)-piperidin-4-yl]-3...)
Show SMILES O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1CCC2CCCCC2C1
Show InChI InChI=1S/C22H33N3O2S/c26-28(27)23-16-19-7-3-4-8-22(19)25(28)20-11-13-24(14-12-20)21-10-9-17-5-1-2-6-18(17)15-21/h3-4,7-8,17-18,20-21,23H,1-2,5-6,9-16H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
92n/an/an/an/an/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Inhibition of [3H]diprenorphine binding to human Opioid receptor mu 1


Bioorg Med Chem Lett 14: 5045-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.001
BindingDB Entry DOI: 10.7270/Q2TM7BV8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50153129
PNG
(1-[1-(Decahydro-naphthalen-2-yl)-piperidin-4-yl]-3...)
Show SMILES O=S1(=O)NCc2ccccc2N1C1CCN(CC1)C1CCC2CCCCC2C1
Show InChI InChI=1S/C22H33N3O2S/c26-28(27)23-16-19-7-3-4-8-22(19)25(28)20-11-13-24(14-12-20)21-10-9-17-5-1-2-6-18(17)15-21/h3-4,7-8,17-18,20-21,23H,1-2,5-6,9-16H2
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/an/an/a 1.48E+3n/an/an/an/a



Purdue Pharma LP

Curated by ChEMBL


Assay Description
Agonist activity as stimulation of [35S]-GTP-gamma binding to human Opioid receptor mu 1


Bioorg Med Chem Lett 14: 5045-50 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.001
BindingDB Entry DOI: 10.7270/Q2TM7BV8
More data for this
Ligand-Target Pair