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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50013847'   
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


(Macaca mulatta)
BDBM50013847
PNG
(CHEMBL312040 | Etonitazene | {2-[2-(4-Ethoxy-benzy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3
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0.0100n/an/an/an/an/an/an/an/a



Universit£t des Saarlandes

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor in rhesus monkey brain membrane in presence of Na+ ions


Eur J Med Chem 43: 2307-15 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.011
BindingDB Entry DOI: 10.7270/Q2Z60Q02
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Macaca mulatta)
BDBM50013847
PNG
(CHEMBL312040 | Etonitazene | {2-[2-(4-Ethoxy-benzy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3
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0.0200n/an/an/an/an/an/an/an/a



Universit£t des Saarlandes

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor in rhesus monkey brain membrane in absence of Na+ ions


Eur J Med Chem 43: 2307-15 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.011
BindingDB Entry DOI: 10.7270/Q2Z60Q02
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50013847
PNG
(CHEMBL312040 | Etonitazene | {2-[2-(4-Ethoxy-benzy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3
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0.200n/an/an/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL




J Med Chem 61: 1646-1663 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01760
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50013847
PNG
(CHEMBL312040 | Etonitazene | {2-[2-(4-Ethoxy-benzy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3
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0.200n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50013847
PNG
(CHEMBL312040 | Etonitazene | {2-[2-(4-Ethoxy-benzy...)
Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2CCN(CC)CC)[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H28N4O3/c1-4-24(5-2)13-14-25-21-12-9-18(26(27)28)16-20(21)23-22(25)15-17-7-10-19(11-8-17)29-6-3/h7-12,16H,4-6,13-15H2,1-3H3
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1.60n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair