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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 = 'BDBM50001707'   
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


(GUINEA PIG)
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain homogenate by scintillation counting


Bioorg Med Chem Lett 21: 4104-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.147
BindingDB Entry DOI: 10.7270/Q25M66P3
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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0.780n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory binding constant in guinea pig brain homogenate was reported at mu site at a temperature 25 degree Centigrade labeled with [3H](D-Ala2-MeP...


J Med Chem 28: 974-6 (1985)


Article DOI: 10.1021/jm00145a024
BindingDB Entry DOI: 10.7270/Q27W6CSW
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(MOUSE)
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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5.01n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cells


ACS Med Chem Lett 3: 640-644 (2012)


Article DOI: 10.1021/ml300083p
BindingDB Entry DOI: 10.7270/Q2BR8T8V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 of guinea pig brain membranes using 0.5 nM of [3H]naloxone as radioligand


J Med Chem 29: 1222-5 (1987)


Article DOI: 10.1021/jm00157a018
BindingDB Entry DOI: 10.7270/Q2M04606
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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Article
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n/an/a 1.40n/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of opioid receptor mu by displacing 1 nM [3H]DAGO in guinea pig brain membrane


J Med Chem 35: 4589-94 (1993)


Article DOI: 10.1021/jm00102a012
BindingDB Entry DOI: 10.7270/Q27S7PCK
More data for this
Ligand-Target Pair