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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 = 'BDBM50068132'   
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))
BDBM50068132
PNG
(3-[(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H34N2O/c1-28(2,3)25-14-12-23(13-15-25)27(24-10-7-11-26(31)20-24)30-18-16-29(17-19-30)21-22-8-5-4-6-9-22/h4-15,20,27,31H,16-19,21H2,1-3H3
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Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor mu 1 using [3H]-DAMGO as radioligand.


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50068132
PNG
(3-[(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H34N2O/c1-28(2,3)25-14-12-23(13-15-25)27(24-10-7-11-26(31)20-24)30-18-16-29(17-19-30)21-22-8-5-4-6-9-22/h4-15,20,27,31H,16-19,21H2,1-3H3
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Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity was measured against Opioid receptor mu 1 using [3H]-DAMGO as radioligand.


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50068132
PNG
(3-[(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H34N2O/c1-28(2,3)25-14-12-23(13-15-25)27(24-10-7-11-26(31)20-24)30-18-16-29(17-19-30)21-22-8-5-4-6-9-22/h4-15,20,27,31H,16-19,21H2,1-3H3
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PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-DAMGO (Tyr-D-Ala-Gly-(Me)-Phe-Gly-ol) binding to Opioid receptor mu 1 using rat brain membranes


J Med Chem 42: 5359-68 (2000)


BindingDB Entry DOI: 10.7270/Q23777XM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50068132
PNG
(3-[(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H34N2O/c1-28(2,3)25-14-12-23(13-15-25)27(24-10-7-11-26(31)20-24)30-18-16-29(17-19-30)21-22-8-5-4-6-9-22/h4-15,20,27,31H,16-19,21H2,1-3H3
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PubMed
n/an/an/an/a 7.60E+3n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Tested for electrically induced smooth muscle contractions from guinea pig ileum expressed in mu opioid receptors


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50068132
PNG
(3-[(4-Benzyl-piperazin-1-yl)-(4-tert-butyl-phenyl)...)
Show SMILES CC(C)(C)c1ccc(cc1)C(N1CCN(Cc2ccccc2)CC1)c1cccc(O)c1
Show InChI InChI=1S/C28H34N2O/c1-28(2,3)25-14-12-23(13-15-25)27(24-10-7-11-26(31)20-24)30-18-16-29(17-19-30)21-22-8-5-4-6-9-22/h4-15,20,27,31H,16-19,21H2,1-3H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a 3.90E+4n/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Tested for electrically induced smooth muscle contractions from guinea pig ileum expressed in mu opioid receptors


J Med Chem 41: 4767-76 (1998)


Article DOI: 10.1021/jm980374r
BindingDB Entry DOI: 10.7270/Q2DZ07FQ
More data for this
Ligand-Target Pair