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Compile Data Set for Download or QSAR

Found 13 hits of ph data with Target = 'Mu-type opioid receptor'   
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


(Homo sapiens (human))
BDBM98008
PNG
(US8481743, 4)
Show SMILES CCC(=O)N(C1CCN(CCC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C34H41N3O2/c1-2-32(38)37(30-18-10-5-11-19-30)31-20-25-35(26-21-31)27-22-34(28-14-6-3-7-15-28,29-16-8-4-9-17-29)33(39)36-23-12-13-24-36/h3-11,14-19,31H,2,12-13,20-27H2,1H3
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19.2n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM98007
PNG
(US8481743, 3)
Show SMILES CCC(=O)N(C1CCN(CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H39N3O2/c1-4-30(36)35(28-18-12-7-13-19-28)29-20-23-34(24-21-29)25-22-32(31(37)33(2)3,26-14-8-5-9-15-26)27-16-10-6-11-17-27/h5-19,29H,4,20-25H2,1-3H3
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36.1n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM98009
PNG
(US8481743, 1)
Show SMILES CCC(=O)N(C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C30H33N3O/c1-2-29(34)33(27-16-10-5-11-17-27)28-18-21-32(22-19-28)23-20-30(24-31,25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,28H,2,18-23H2,1H3
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82.8n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM98006
PNG
(US8481743, 2)
Show SMILES CCC(=O)N(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-2-29(32)31(26-16-10-5-11-17-26)27-18-21-30(22-19-27)23-20-28(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27-28H,2,18-23H2,1H3
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331n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM27957
PNG
((+)-Zilpaterol | (9S,10S)-9-hydroxy-10-(propan-2-y...)
Show SMILES CC(C)N[C@H]1CCn2c3c(cccc3[nH]c2=O)[C@@H]1O
Show InChI InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m0/s1
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Article
PubMed
7.00E+3 -29.1 1.70E+4n/a 1.40E+5n/an/a7.422



Intervet Innovation GmbH



Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...


J Med Chem 52: 1773-7 (2009)


Article DOI: 10.1021/jm801211c
BindingDB Entry DOI: 10.7270/Q2H993HR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM27955
PNG
((-)-Zilpaterol | (9R,10R)-9-hydroxy-10-(propan-2-y...)
Show SMILES CC(C)N[C@@H]1CCn2c3c(cccc3[nH]c2=O)[C@H]1O
Show InChI InChI=1S/C14H19N3O2/c1-8(2)15-11-6-7-17-12-9(13(11)18)4-3-5-10(12)16-14(17)19/h3-5,8,11,13,15,18H,6-7H2,1-2H3,(H,16,19)/t11-,13-/m1/s1
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Article
PubMed
1.30E+5 -22.0 3.20E+5n/a>1.00E+6n/an/a7.422



Intervet Innovation GmbH



Assay Description
In the binding assays, the results were expressed as percent inhibition of the control radioligand specific binding. The IC50 values (concentration c...


J Med Chem 52: 1773-7 (2009)


Article DOI: 10.1021/jm801211c
BindingDB Entry DOI: 10.7270/Q2H993HR
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50199896
PNG
(3-((2R,3R,7S,9-alpha-S)-2,3-dimethyl-7-phenyl-octa...)
Show SMILES C[C@H]1CN2C[C@@H](CC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H29NO/c1-17-15-24-16-19(18-7-4-3-5-8-18)11-12-21(24)14-23(17,2)20-9-6-10-22(25)13-20/h3-10,13,17,19,21,25H,11-12,14-16H2,1-2H3/t17-,19+,21-,23+/m0/s1
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0.570 -52.8 0.530n/an/an/an/a7.825



Adolor Corporation

US Patent


Assay Description
The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).


US Patent US8580788 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VKK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50199914
PNG
(3-((7R,8R,9alphaR)-2-benzyl-7,8-dimethyl-octahydro...)
Show SMILES C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C23H30N2O/c1-18-15-25-12-11-24(16-19-7-4-3-5-8-19)17-21(25)14-23(18,2)20-9-6-10-22(26)13-20/h3-10,13,18,21,26H,11-12,14-17H2,1-2H3/t18-,21+,23+/m0/s1
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1.10 -51.1 11n/an/an/an/a7.825



Adolor Corporation

US Patent


Assay Description
The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).


US Patent US8580788 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VKK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50199913
PNG
(((7R,8R,9alphaR)-8-(3-hydroxyphenyl)-7,8-dimethyl-...)
Show SMILES C[C@H]1CN2CCN(C[C@H]2C[C@@]1(C)c1cccc(O)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H28N2O2/c1-17-15-24-11-12-25(22(27)18-7-4-3-5-8-18)16-20(24)14-23(17,2)19-9-6-10-21(26)13-19/h3-10,13,17,20,26H,11-12,14-16H2,1-2H3/t17-,20+,23+/m0/s1
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2 -49.7 21n/an/an/an/a7.825



Adolor Corporation

US Patent


Assay Description
The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).


US Patent US8580788 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VKK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50199912
PNG
(3-((3S,7R,8R,9alphaR)-2,7,8-trimethyl-3-phenyl-oct...)
Show SMILES C[C@H]1CN2C[C@@H](N(C)C[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-17-14-25-16-22(18-8-5-4-6-9-18)24(3)15-20(25)13-23(17,2)19-10-7-11-21(26)12-19/h4-12,17,20,22,26H,13-16H2,1-3H3/t17-,20+,22+,23+/m0/s1
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3.30 -48.4 26n/an/an/an/a7.825



Adolor Corporation

US Patent


Assay Description
The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).


US Patent US8580788 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VKK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50199943
PNG
(3-((3S,7R,8R,9alphaR)-7,8-dimethyl-3-phenyl-octahy...)
Show SMILES C[C@H]1CN2C[C@@H](NC[C@H]2C[C@@]1(C)c1cccc(O)c1)c1ccccc1
Show InChI InChI=1S/C22H28N2O/c1-16-14-24-15-21(17-7-4-3-5-8-17)23-13-19(24)12-22(16,2)18-9-6-10-20(25)11-18/h3-11,16,19,21,23,25H,12-15H2,1-2H3/t16-,19+,21+,22+/m0/s1
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3.60 -48.2 12n/an/an/an/a7.825



Adolor Corporation

US Patent


Assay Description
The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).


US Patent US8580788 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VKK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50199934
PNG
(3-((7R,8R,9alphaR)-7,8-dimethyl-2-phenethyl-octahy...)
Show SMILES C[C@H]1CN2CCN(CCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C24H32N2O/c1-19-17-26-14-13-25(12-11-20-7-4-3-5-8-20)18-22(26)16-24(19,2)21-9-6-10-23(27)15-21/h3-10,15,19,22,27H,11-14,16-18H2,1-2H3/t19-,22+,24+/m0/s1
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5.5 -47.1 21n/an/an/an/a7.825



Adolor Corporation

US Patent


Assay Description
The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).


US Patent US8580788 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VKK
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50199907
PNG
(3-((3S,7R,8R,9alphaR)-3-benzyl-7,8-dimethyl-octahy...)
Show SMILES C[C@H]1CN2C[C@H](Cc3ccccc3)NC[C@H]2C[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C23H30N2O/c1-17-15-25-16-20(11-18-7-4-3-5-8-18)24-14-21(25)13-23(17,2)19-9-6-10-22(26)12-19/h3-10,12,17,20-21,24,26H,11,13-16H2,1-2H3/t17-,20-,21+,23+/m0/s1
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8.90 -46.0 29n/an/an/an/a7.825



Adolor Corporation

US Patent


Assay Description
The receptor binding method (DeHaven and DeHaven-Hudkins, 1998) was a modification of the method of Raynor et al. (1994).


US Patent US8580788 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VKK
More data for this
Ligand-Target Pair