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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50060073'   
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))
BDBM50060073
PNG
(2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1S/C21H25N3O3/c1-12-7-16(25)8-13(2)17(12)10-18(22)21(27)24-11-15-6-4-3-5-14(15)9-19(24)20(23)26/h3-8,18-19,25H,9-11,22H2,1-2H3,(H2,23,26)/t18-,19?/m0/s1
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Article
PubMed
277n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor mu 1 by displacement of [3H]- DAGO


J Med Chem 40: 3100-8 (1997)


Article DOI: 10.1021/jm9607663
BindingDB Entry DOI: 10.7270/Q2TD9Z1N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50060073
PNG
(2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1S/C21H25N3O3/c1-12-7-16(25)8-13(2)17(12)10-18(22)21(27)24-11-15-6-4-3-5-14(15)9-19(24)20(23)26/h3-8,18-19,25H,9-11,22H2,1-2H3,(H2,23,26)/t18-,19?/m0/s1
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PubMed
277n/an/an/an/an/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Inhibition of guinea pig ileum Opioid receptor mu 1


Bioorg Med Chem Lett 10: 2745-8 (2000)


BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50060073
PNG
(2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1S/C21H25N3O3/c1-12-7-16(25)8-13(2)17(12)10-18(22)21(27)24-11-15-6-4-3-5-14(15)9-19(24)20(23)26/h3-8,18-19,25H,9-11,22H2,1-2H3,(H2,23,26)/t18-,19?/m0/s1
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PubMed
2.77E+4n/an/an/an/an/an/an/an/a



University of Cagliary

Curated by ChEMBL


Assay Description
Binding affinity for rat brain P2 synaptosome Opioid receptor mu 1


J Med Chem 45: 713-20 (2002)


BindingDB Entry DOI: 10.7270/Q2639QFF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50060073
PNG
(2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-p...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(N)=O
Show InChI InChI=1S/C21H25N3O3/c1-12-7-16(25)8-13(2)17(12)10-18(22)21(27)24-11-15-6-4-3-5-14(15)9-19(24)20(23)26/h3-8,18-19,25H,9-11,22H2,1-2H3,(H2,23,26)/t18-,19?/m0/s1
PDB

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PubMed
n/an/an/an/a<1.00E+4n/an/an/an/a



University of Naples

Curated by ChEMBL


Assay Description
Negative logarithm of the molar concentration for agonist activity at Opioid receptor mu 1 was determined in guinea pig ileum


Bioorg Med Chem Lett 10: 2745-8 (2000)


BindingDB Entry DOI: 10.7270/Q25H7HF1
More data for this
Ligand-Target Pair