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Compile Data Set for Download or QSAR

Found 14821 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1/Mu-type opioid receptor' AND taxid = 9606   
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
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50176988
PNG
(8-Chloro-1-(2,4-dichloro-phenyl)-1,3a,4,5,6,10b-he...)
Show SMILES Clc1ccc(c(Cl)c1)-n1nc(C(=O)NN2CCCCC2)c2CCCc3cc(Cl)ccc3-c12
Show InChI InChI=1S/C24H23Cl3N4O/c25-16-7-9-18-15(13-16)5-4-6-19-22(24(32)29-30-11-2-1-3-12-30)28-31(23(18)19)21-10-8-17(26)14-20(21)27/h7-10,13-14H,1-6,11-12H2,(H,29,32)
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PubMed
0.000350n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor (unknown origin)


J Med Chem 51: 3526-39 (2008)


Article DOI: 10.1021/jm8000778
BindingDB Entry DOI: 10.7270/Q29K4B0X
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50402775
PNG
(CHEMBL2208351)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C34H38N2O3/c1-22-30-18-27-9-10-28(17-29(27)34(22,2)14-16-36(30)20-24-3-4-24)33(37)35-15-13-23-5-7-25(8-6-23)26-11-12-31-32(19-26)39-21-38-31/h5-12,17,19,22,24,30H,3-4,13-16,18,20-21H2,1-2H3,(H,35,37)
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0.00160n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50366764
PNG
(CHEMBL1790045 | MCL-117)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC#C)c2c1
Show InChI InChI=1S/C19H23NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h1,6-7,13,16,18,21H,3-5,8-12H2/t16-,18+,19+/m0/s1
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0.00300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)


Article DOI: 10.1021/jm050577x
BindingDB Entry DOI: 10.7270/Q2HQ40QF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50430798
PNG
(CHEMBL2335120)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1
Show InChI InChI=1S/C35H40N6O6/c1-19-13-24(42)14-20(2)26(19)16-27(36)35(46)41-11-10-22(18-41)33(44)39-29(15-23-17-38-28-8-5-4-7-25(23)28)34(45)40-31(21(3)32(37)43)30-9-6-12-47-30/h4-9,12-14,17,22,27,29,31,38,42H,3,10-11,15-16,18,36H2,1-2H3,(H2,37,43)(H,39,44)(H,40,45)/t22-,27+,29+,31-/m1/s1
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0.00372n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50402777
PNG
(CHEMBL2208347)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C33H38N2O2/c1-22-31-20-27-9-10-28(19-30(27)33(22,2)16-18-35(31)21-24-3-4-24)32(37)34-17-15-23-5-7-25(8-6-23)26-11-13-29(36)14-12-26/h5-14,19,22,24,31,36H,3-4,15-18,20-21H2,1-2H3,(H,34,37)/t22-,31+,33+/m0/s1
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0.00490n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50402776
PNG
(CHEMBL2208349)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccccc1O
Show InChI InChI=1S/C33H38N2O2/c1-22-30-20-26-13-14-27(19-29(26)33(22,2)16-18-35(30)21-24-7-8-24)32(37)34-17-15-23-9-11-25(12-10-23)28-5-3-4-6-31(28)36/h3-6,9-14,19,22,24,30,36H,7-8,15-18,20-21H2,1-2H3,(H,34,37)
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0.00560n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50402777
PNG
(CHEMBL2208347)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@]1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C33H38N2O2/c1-22-31-20-27-9-10-28(19-30(27)33(22,2)16-18-35(31)21-24-3-4-24)32(37)34-17-15-23-5-7-25(8-6-23)26-11-13-29(36)14-12-26/h5-14,19,22,24,31,36H,3-4,15-18,20-21H2,1-2H3,(H,34,37)/t22-,31+,33+/m0/s1
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0.00560n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50402772
PNG
(CHEMBL2208350)
Show SMILES COc1ccc(cc1OC)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1
Show InChI InChI=1S/C35H42N2O3/c1-23-31-20-28-11-12-29(19-30(28)35(23,2)16-18-37(31)22-25-5-6-25)34(38)36-17-15-24-7-9-26(10-8-24)27-13-14-32(39-3)33(21-27)40-4/h7-14,19,21,23,25,31H,5-6,15-18,20,22H2,1-4H3,(H,36,38)
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0.00710n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50430801
PNG
(CHEMBL2334776)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1
Show InChI InChI=1S/C37H42N6O5/c1-21-15-27(44)16-22(2)29(21)18-30(38)37(48)43-14-13-25(20-43)35(46)41-32(17-26-19-40-31-12-8-7-11-28(26)31)36(47)42-33(23(3)34(39)45)24-9-5-4-6-10-24/h4-12,15-16,19,25,30,32-33,40,44H,3,13-14,17-18,20,38H2,1-2H3,(H2,39,45)(H,41,46)(H,42,47)/t25-,30+,32+,33-/m1/s1
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0.00986n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50180190
PNG
((1R,9R)-17-[(2S)-oxolan-2-ylmethyl]-17-azatetracyc...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3C[C@@H]3CCCO3)c2c1
Show InChI InChI=1S/C21H29NO2/c23-16-7-6-15-12-20-18-5-1-2-8-21(18,19(15)13-16)9-10-22(20)14-17-4-3-11-24-17/h6-7,13,17-18,20,23H,1-5,8-12,14H2/t17-,18?,20+,21+/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)


Article DOI: 10.1021/jm050577x
BindingDB Entry DOI: 10.7270/Q2HQ40QF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50142700
PNG
(CHEMBL326684)
Show SMILES CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O
Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13-,17+,18+,19-/m1/s1
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0.0100n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor (unknown origin)


Eur J Med Chem 108: 211-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.028
BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50430802
PNG
(CHEMBL2334775)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1
Show InChI InChI=1S/C35H40N6O6/c1-19-13-24(42)14-20(2)26(19)16-27(36)35(46)41-11-10-22(18-41)33(44)39-29(15-23-17-38-28-8-5-4-7-25(23)28)34(45)40-31(21(3)32(37)43)30-9-6-12-47-30/h4-9,12-14,17,22,27,29,31,38,42H,3,10-11,15-16,18,36H2,1-2H3,(H2,37,43)(H,39,44)(H,40,45)/t22-,27-,29-,31+/m0/s1
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0.0128n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50033535
PNG
(CHEMBL331883 | N-[(3R,4S)-1-((R)-2-Hydroxy-2-pheny...)
Show SMILES CCC(=O)N([C@H]1CCN(C[C@H](O)c2ccccc2)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21+,22+/m1/s1
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0.0130n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1


J Med Chem 43: 381-91 (2000)


Article DOI: 10.1021/jm9903702
BindingDB Entry DOI: 10.7270/Q2DN45RB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50430803
PNG
(CHEMBL2334774)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CC[C@@H](C1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(N)=O)c1ccccc1
Show InChI InChI=1S/C37H42N6O5/c1-21-15-27(44)16-22(2)29(21)18-30(38)37(48)43-14-13-25(20-43)35(46)41-32(17-26-19-40-31-12-8-7-11-28(26)31)36(47)42-33(23(3)34(39)45)24-9-5-4-6-10-24/h4-12,15-16,19,25,30,32-33,40,44H,3,13-14,17-18,20,38H2,1-2H3,(H2,39,45)(H,41,46)(H,42,47)/t25-,30-,32-,33+/m0/s1
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0.0137n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50254566
PNG
(6,11-Dimethyl-3-phenethyl-1,2,3,4,5,6-hexahydro-2,...)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CCc1ccccc1)C(N)=O
Show InChI InChI=1S/C23H28N2O/c1-16-21-15-18-8-9-19(22(24)26)14-20(18)23(16,2)11-13-25(21)12-10-17-6-4-3-5-7-17/h3-9,14,16,21H,10-13,15H2,1-2H3,(H2,24,26)
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0.0150n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells


Bioorg Med Chem Lett 19: 203-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.134
BindingDB Entry DOI: 10.7270/Q2RX9D1K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50299217
PNG
((5R,8S,11S,14S)-14-((S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C34H40N6O6S2/c35-25(15-23-11-13-24(41)14-12-23)31(43)40-29-19-48-20-47-18-28(30(36)42)39-33(45)27(17-22-9-5-2-6-10-22)37-32(44)26(38-34(29)46)16-21-7-3-1-4-8-21/h1-14,25-29,41H,15-20,35H2,(H2,36,42)(H,37,44)(H,38,46)(H,39,45)(H,40,43)/t25-,26-,27-,28-,29+/m0/s1
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0.0160n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor (unknown origin)


Eur J Med Chem 108: 211-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.028
BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50402773
PNG
(CHEMBL2208358)
Show SMILES COc1cccc(c1)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1
Show InChI InChI=1S/C34H40N2O2/c1-23-32-21-28-13-14-29(20-31(28)34(23,2)16-18-36(32)22-25-7-8-25)33(37)35-17-15-24-9-11-26(12-10-24)27-5-4-6-30(19-27)38-3/h4-6,9-14,19-20,23,25,32H,7-8,15-18,21-22H2,1-3H3,(H,35,37)
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0.0180n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50021347
PNG
(CHEMBL12391 | N-(3-Methyl-1-phenethyl-piperidin-4-...)
Show SMILES CCC(=O)N([C@H]1CCN(CCc2ccccc2)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-15-17-24(18-19(22)2)16-14-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3/t19-,22+/m1/s1
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0.0200n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1


J Med Chem 43: 381-91 (2000)


Article DOI: 10.1021/jm9903702
BindingDB Entry DOI: 10.7270/Q2DN45RB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50402780
PNG
(CHEMBL2208348)
Show SMILES CC1C2Cc3ccc(cc3C1(C)CCN2CC1CC1)C(=O)NCCc1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C33H38N2O2/c1-22-31-20-27-12-13-28(19-30(27)33(22,2)15-17-35(31)21-24-6-7-24)32(37)34-16-14-23-8-10-25(11-9-23)26-4-3-5-29(36)18-26/h3-5,8-13,18-19,22,24,31,36H,6-7,14-17,20-21H2,1-2H3,(H,34,37)
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0.0210n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50012477
PNG
(1-Phenethyl-4-(phenyl-propionyl-amino)-piperidine-...)
Show SMILES CCC(=O)N(c1ccccc1)C1(CCN(CCc2ccccc2)CC1)C(=O)OC
Show InChI InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3
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0.0240n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1


J Med Chem 43: 381-91 (2000)


Article DOI: 10.1021/jm9903702
BindingDB Entry DOI: 10.7270/Q2DN45RB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50303629
PNG
(17-(Cyclopropylmethyl)-N-(4-methoxyphenyl)morphina...)
Show SMILES COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1
Show InChI InChI=1S/C27H34N2O/c1-30-23-11-9-21(10-12-23)28-22-8-7-20-16-26-24-4-2-3-13-27(24,25(20)17-22)14-15-29(26)18-19-5-6-19/h7-12,17,19,24,26,28H,2-6,13-16,18H2,1H3/t24-,26+,27+/m0/s1
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0.0260n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 53: 402-18 (2010)


Article DOI: 10.1021/jm9013482
BindingDB Entry DOI: 10.7270/Q2668D84
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50265533
PNG
(2-({[(1S,5R,13R,14S,17S)-9,17-dihydroxy-4-methyl-1...)
Show SMILES CNC(=O)COCC(=O)NCCCCNC(=O)COCC(=O)N[C@H]1CC[C@@]2(O)[C@H]3Cc4cc(O)cc5O[C@@H]1[C@]2(CCN3C)c45
Show InChI InChI=1S/C30H43N5O9/c1-31-23(37)14-42-15-24(38)32-8-3-4-9-33-25(39)16-43-17-26(40)34-20-5-6-30(41)22-12-18-11-19(36)13-21-27(18)29(30,28(20)44-21)7-10-35(22)2/h11,13,20,22,28,36,41H,3-10,12,14-17H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)/t20-,22+,28-,29-,30+/m0/s1
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0.0298n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in CHO cells


J Med Chem 52: 247-58 (2009)


Article DOI: 10.1021/jm800174p
BindingDB Entry DOI: 10.7270/Q22V2FZJ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50388901
PNG
(CHEMBL2063237)
Show SMILES CC(C)C(=O)N[C@@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...


ACS Med Chem Lett 3: 397-401 (2012)


Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50142621
PNG
(CHEMBL3759292)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)NCc1ccccc1
Show InChI InChI=1S/C30H34N4O4/c1-19-12-24(35)13-20(2)25(19)15-26(31)30(38)34-18-23-11-7-6-10-22(23)14-27(34)29(37)33-17-28(36)32-16-21-8-4-3-5-9-21/h3-13,26-27,35H,14-18,31H2,1-2H3,(H,32,36)(H,33,37)/t26-,27+/m0/s1
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0.0310n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor (unknown origin)


Eur J Med Chem 108: 211-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.028
BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50430799
PNG
(CHEMBL2334772)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(O)=O)c1ccccc1
Show InChI InChI=1S/C37H41N5O6/c1-21-16-26(43)17-22(2)28(21)19-29(38)36(46)42-15-9-14-32(42)35(45)40-31(18-25-20-39-30-13-8-7-12-27(25)30)34(44)41-33(23(3)37(47)48)24-10-5-4-6-11-24/h4-8,10-13,16-17,20,29,31-33,39,43H,3,9,14-15,18-19,38H2,1-2H3,(H,40,45)(H,41,44)(H,47,48)/t29-,31-,32-,33+/m0/s1
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0.0322n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM3916
PNG
(US8530494, 206)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1ccc(Cl)c(Cl)c1)OC
Show InChI InChI=1S/C29H33Cl2NO4/c1-32-11-10-28-24-18-5-7-22(33-2)25(24)36-26(28)29(34-3)9-8-27(28,23(32)13-18)14-19(29)16-35-15-17-4-6-20(30)21(31)12-17/h4-7,12,19,23,26H,8-11,13-16H2,1-3H3/t19-,23-,26-,27-,28+,29-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50388885
PNG
(CHEMBL2063238)
Show SMILES CC(C)C(=O)N[C@H]1CCCOc2c1nn(c2-c1ccc(Cl)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C23H23Cl2N3O2/c1-14(2)23(29)26-18-7-5-13-30-22-20(18)27-28(19-8-4-3-6-17(19)25)21(22)15-9-11-16(24)12-10-15/h3-4,6,8-12,14,18H,5,7,13H2,1-2H3,(H,26,29)/t18-/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...


ACS Med Chem Lett 3: 397-401 (2012)


Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50430800
PNG
(CHEMBL2334773)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=C)C(O)=O)c1ccco1
Show InChI InChI=1S/C35H39N5O7/c1-19-14-23(41)15-20(2)25(19)17-26(36)34(44)40-12-6-10-29(40)33(43)38-28(16-22-18-37-27-9-5-4-8-24(22)27)32(42)39-31(21(3)35(45)46)30-11-7-13-47-30/h4-5,7-9,11,13-15,18,26,28-29,31,37,41H,3,6,10,12,16-17,36H2,1-2H3,(H,38,43)(H,39,42)(H,45,46)/t26-,28-,29-,31+/m0/s1
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0.0405n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from FLAG-tagged mu-type opioid receptor (unknown origin) expressed in HEK293 cells after 60 mins by liquid scintillation c...


J Med Chem 56: 3102-14 (2013)


Article DOI: 10.1021/jm400195y
BindingDB Entry DOI: 10.7270/Q2KS6SW8
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50142620
PNG
(CHEMBL3758712)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC(=O)Nc1ccccc1
Show InChI InChI=1S/C29H32N4O4/c1-18-12-23(34)13-19(2)24(18)15-25(30)29(37)33-17-21-9-7-6-8-20(21)14-26(33)28(36)31-16-27(35)32-22-10-4-3-5-11-22/h3-13,25-26,34H,14-17,30H2,1-2H3,(H,31,36)(H,32,35)/t25-,26+/m0/s1
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0.0420n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Binding affinity at mu opioid receptor (unknown origin)


Eur J Med Chem 108: 211-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.11.028
BindingDB Entry DOI: 10.7270/Q2R2137W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50045775
PNG
((3R,4R)3-[1-(3-Cyclohexyl-3-hydroxy-propyl)-3,4-di...)
Show SMILES C[C@H]1CN(CC[C@H](O)C2CCCCC2)CC[C@@]1(C)c1cccc(O)c1
Show InChI InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21-,22+/m0/s1
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0.0430n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 5349-52 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.008
BindingDB Entry DOI: 10.7270/Q2668CX7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM179904
PNG
(US9133125, Table D, Compound 8)
Show SMILES C[C@H]1[C@H]2Cc3ccc(cc3[C@@]1(C)CCN2C[C@H]1CCCO1)C(N)=O
Show InChI InChI=1S/C20H28N2O2/c1-13-18-11-14-5-6-15(19(21)23)10-17(14)20(13,2)7-8-22(18)12-16-4-3-9-24-16/h5-6,10,13,16,18H,3-4,7-9,11-12H2,1-2H3,(H2,21,23)/t13-,16+,18+,20-/m0/s1
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0.0500n/a 58n/an/an/an/an/an/a



ALKERMES PHARMA IRELAND LIMITED

US Patent


Assay Description
The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o...


US Patent US9133125 (2015)


BindingDB Entry DOI: 10.7270/Q2736PPB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM82555
PNG
(CAS_4424 | NSC_4424 | Naloxonazine)
Show SMILES Oc1ccc2CC3N(CC=C)CCC45C(Oc1c24)C(CCC35O)=NN=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(CCN3CC=C)c45
Show InChI InChI=1S/C38H42N4O6/c1-3-15-41-17-13-35-29-21-5-7-25(43)31(29)47-33(35)23(9-11-37(35,45)27(41)19-21)39-40-24-10-12-38(46)28-20-22-6-8-26(44)32-30(22)36(38,34(24)48-32)14-18-42(28)16-4-2/h3-8,27-28,33-34,43-46H,1-2,9-20H2
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0.0500n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 45: 330-4 (1994)


Article DOI: 10.1016/j.bioorg.2015.02.008
BindingDB Entry DOI: 10.7270/Q21Z42X1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM3992
PNG
(US8530494, 201)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCC1CCCCC1)OC
Show InChI InChI=1S/C29H41NO4/c1-30-14-13-28-24-20-9-10-22(31-2)25(24)34-26(28)29(32-3)12-11-27(28,23(30)15-20)16-21(29)18-33-17-19-7-5-4-6-8-19/h9-10,19,21,23,26H,4-8,11-18H2,1-3H3/t21-,23-,26-,27-,28+,29-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50388902
PNG
(CHEMBL2063239)
Show SMILES Clc1ccc(cc1)-c1c2OCCCC(NC(=O)C3CCCCC3)c2nn1-c1ccccc1Cl
Show InChI InChI=1S/C26H27Cl2N3O2/c27-19-14-12-17(13-15-19)24-25-23(30-31(24)22-11-5-4-9-20(22)28)21(10-6-16-33-25)29-26(32)18-7-2-1-3-8-18/h4-5,9,11-15,18,21H,1-3,6-8,10,16H2,(H,29,32)
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0.0500n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as inhibition of CP-55940-induced [35S]GTPgammaS binding incubated for 1...


ACS Med Chem Lett 3: 397-401 (2012)


Article DOI: 10.1021/ml3000325
BindingDB Entry DOI: 10.7270/Q22N53BD
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM86936
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H29ClN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)
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0.0500n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM4009
PNG
(US8530494, 207)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(CC[C@@]35C[C@@H]1COCc1cccc(C)c1)OC
Show InChI InChI=1S/C30H37NO4/c1-19-6-5-7-20(14-19)17-34-18-22-16-28-10-11-30(22,33-4)27-29(28)12-13-31(2)24(28)15-21-8-9-23(32-3)26(35-27)25(21)29/h5-9,14,22,24,27H,10-13,15-18H2,1-4H3/t22-,24-,27-,28-,29+,30-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Purdue Pharma LP

US Patent


Assay Description
Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displac...


US Patent US8530494 (2013)


BindingDB Entry DOI: 10.7270/Q2JS9P3J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50278265
PNG
(CCDC 710249, HCl salt | CHEMBL471243)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
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0.0520n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 19: 2289-94 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.078
BindingDB Entry DOI: 10.7270/Q200030V
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50165049
PNG
(17-cyclopropylmethyl-3,10-dihydroxy-13-oxo-(1R,9R,...)
Show SMILES NC(=O)c1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC(=O)CC[C@@]34O)c2c1O
Show InChI InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1
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0.0520n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 expressed in CHO cells using [3H]DAMGO as radioligand


Bioorg Med Chem Lett 15: 2107-10 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.032
BindingDB Entry DOI: 10.7270/Q2C24X63
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50199865
PNG
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C36H42N6O5/c1-21-15-25(43)16-22(2)27(21)19-28(37)36(47)42-14-8-13-32(42)35(46)41-31(18-24-20-39-29-12-7-6-11-26(24)29)34(45)40-30(33(38)44)17-23-9-4-3-5-10-23/h3-7,9-12,15-16,20,28,30-32,39,43H,8,13-14,17-19,37H2,1-2H3,(H2,38,44)(H,40,45)(H,41,46)/t28-,30-,31-,32-/m0/s1
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0.0590n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in human SHSY5Y cells


Bioorg Med Chem 16: 6286-96 (2008)


Article DOI: 10.1016/j.bmc.2008.04.020
BindingDB Entry DOI: 10.7270/Q2ZG6S2T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50402774
PNG
(CHEMBL2208352)
Show SMILES COc1ccc(cc1C)-c1ccc(CCNC(=O)c2ccc3CC4C(C)C(C)(CCN4CC4CC4)c3c2)cc1
Show InChI InChI=1S/C35H42N2O2/c1-23-19-28(13-14-33(23)39-4)27-9-7-25(8-10-27)15-17-36-34(38)30-12-11-29-21-32-24(2)35(3,31(29)20-30)16-18-37(32)22-26-5-6-26/h7-14,19-20,24,26,32H,5-6,15-18,21-22H2,1-4H3,(H,36,38)
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0.0590n/an/an/an/an/an/an/an/a



Rensselaer Polytechnic Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 22: 7340-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.081
BindingDB Entry DOI: 10.7270/Q2N017Q6
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (human))
BDBM50067499
PNG
((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...)
Show SMILES CCCCCCC(C)(C)c1cc(O)c2[C@@H]3CC(CO)=CC[C@H]3C(C)(C)Oc2c1
Show InChI InChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19-,20-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



Universidad Complutense de Madrid

Curated by ChEMBL


Assay Description
Binding affinity to CB1 receptor


J Med Chem 54: 5265-9 (2011)


Article DOI: 10.1021/jm2004392
BindingDB Entry DOI: 10.7270/Q25D8S6J
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor mu 1 in chinese Hamster Ovary (CHO) cells membranes was determined using [3H]-DAMGO radioligand


J Med Chem 46: 5162-70 (2003)


Article DOI: 10.1021/jm030139v
BindingDB Entry DOI: 10.7270/Q2GX4C9C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50033533
PNG
(CHEMBL121403 | N-[(3R,4R)-1-((S)-2-Hydroxy-2-pheny...)
Show SMILES CCC(=O)N([C@@H]1CCN(C[C@@H](O)c2ccccc2)C[C@H]1C)c1ccccc1
Show InChI InChI=1S/C23H30N2O2/c1-3-23(27)25(20-12-8-5-9-13-20)21-14-15-24(16-18(21)2)17-22(26)19-10-6-4-7-11-19/h4-13,18,21-22,26H,3,14-17H2,1-2H3/t18-,21-,22-/m1/s1
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0.0600n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1


J Med Chem 43: 381-91 (2000)


Article DOI: 10.1021/jm9903702
BindingDB Entry DOI: 10.7270/Q2DN45RB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM86937
PNG
(17-cyclopropylmethyl-3,14-beta-dihydroxy-4,5-alpha...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CCC45C(Oc1c24)C(CCC35O)NC(=O)C=CCc1ccccc1
Show InChI InChI=1S/C30H34N2O4/c33-23-12-11-21-17-24-30(35)14-13-22(31-25(34)8-4-7-19-5-2-1-3-6-19)28-29(30,26(21)27(23)36-28)15-16-32(24)18-20-9-10-20/h1-6,8,11-12,20,22,24,28,33,35H,7,9-10,13-18H2,(H,31,34)
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0.0600n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by PDSP Ki Database




J Med Chem 51: 1913-24 (2008)


Article DOI: 10.1021/jm701060e
BindingDB Entry DOI: 10.7270/Q2KS6Q4K
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50272298
PNG
((-)-N-cyclobutylmethylmorphinan-3-yl-14-ol phenoxy...)
Show SMILES O[C@@]12CCCC[C@@]11CCN(CC3CCC3)[C@@H]2Cc2ccc(OC(=O)COc3ccccc3)cc12
Show InChI InChI=1S/C29H35NO4/c31-27(20-33-23-9-2-1-3-10-23)34-24-12-11-22-17-26-29(32)14-5-4-13-28(29,25(22)18-24)15-16-30(26)19-21-7-6-8-21/h1-3,9-12,18,21,26,32H,4-8,13-17,19-20H2/t26-,28+,29-/m1/s1
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0.0610n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane


Bioorg Med Chem Lett 18: 4474-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.054
BindingDB Entry DOI: 10.7270/Q2K07423
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells


J Med Chem 49: 256-62 (2006)


Article DOI: 10.1021/jm050577x
BindingDB Entry DOI: 10.7270/Q2HQ40QF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO membrane


Bioorg Med Chem 15: 4106-12 (2007)


Article DOI: 10.1016/j.bmc.2007.03.076
BindingDB Entry DOI: 10.7270/Q2D50MN1
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50105483
PNG
((-)-cyclorphan | 17-cyclopropylmethyl-(1R,9R)-17-a...)
Show SMILES Oc1ccc2C[C@@H]3C4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17?,19-,20-/m1/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of Chinese hamster ovary membrane


J Med Chem 47: 1886-8 (2004)


Article DOI: 10.1021/jm049978n
BindingDB Entry DOI: 10.7270/Q2N58N4X
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptors expressed in CHO cell membrane


Bioorg Med Chem Lett 17: 1508-11 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.013
BindingDB Entry DOI: 10.7270/Q2WS8V2W
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (human))
BDBM50135800
PNG
((-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandel...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H27NO/c22-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-21(19)13-14-4-5-14/h6-7,12,14,17,19,22H,1-5,8-11,13H2/t17-,19+,20+/m0/s1
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0.0620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
BindingDB Entry DOI: 10.7270/Q2028SJ1
More data for this
Ligand-Target Pair
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