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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 = 'BDBM50191057'   
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


(Rattus norvegicus (rat))
BDBM50191057
PNG
(CHEMBL214657 | N-(1-phenethylpiperidin-4-yl)-N-phe...)
Show SMILES FC(F)(F)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H28F3N3O2/c25-24(26,27)23(32)28-15-11-22(31)30(20-9-5-2-6-10-20)21-13-17-29(18-14-21)16-12-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,28,32)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 146n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 4946-50 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.040
BindingDB Entry DOI: 10.7270/Q24B30Z0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50191057
PNG
(CHEMBL214657 | N-(1-phenethylpiperidin-4-yl)-N-phe...)
Show SMILES FC(F)(F)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C24H28F3N3O2/c25-24(26,27)23(32)28-15-11-22(31)30(20-9-5-2-6-10-20)21-13-17-29(18-14-21)16-12-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,28,32)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Inhibition of mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction


Bioorg Med Chem Lett 23: 3434-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.065
BindingDB Entry DOI: 10.7270/Q2T72MCM
More data for this
Ligand-Target Pair