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Compile Data Set for Download or QSAR

Found 120 hits Enz. Inhib. hit(s) with all data for entry = 50030894   
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/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 |r|
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
Kappa-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 |r|
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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0.0300n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Kappa-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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0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303630
PNG
(17-(Cyclopropylmethyl)-N-phenylmorphinan-3-amine |...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r|
Show InChI InChI=1S/C26H32N2/c1-2-6-21(7-3-1)27-22-12-11-20-16-25-23-8-4-5-13-26(23,24(20)17-22)14-15-28(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25,27H,4-5,8-10,13-16,18H2/t23-,25+,26+/m0/s1
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0.0470n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Cannabinoid receptor 1/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 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.0790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303630
PNG
(17-(Cyclopropylmethyl)-N-phenylmorphinan-3-amine |...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r|
Show InChI InChI=1S/C26H32N2/c1-2-6-21(7-3-1)27-22-12-11-20-16-25-23-8-4-5-13-26(23,24(20)17-22)14-15-28(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25,27H,4-5,8-10,13-16,18H2/t23-,25+,26+/m0/s1
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0.0800n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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0.230n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303628
PNG
(CHEMBL571998 | N-Benzyl-17-(cyclopropylmethyl)morp...)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N2/c1-2-6-20(7-3-1)18-28-23-12-11-22-16-26-24-8-4-5-13-27(24,25(22)17-23)14-15-29(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26,28H,4-5,8-10,13-16,18-19H2/t24-,26+,27+/m0/s1
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0.260n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303625
PNG
(17-(Cyclopropylmethyl)-N-(4-methoxybenzyl)morphina...)
Show SMILES COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C28H36N2O/c1-31-24-11-7-20(8-12-24)18-29-23-10-9-22-16-27-25-4-2-3-13-28(25,26(22)17-23)14-15-30(27)19-21-5-6-21/h7-12,17,21,25,27,29H,2-6,13-16,18-19H2,1H3/t25-,27+,28+/m0/s1
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0.310n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303628
PNG
(CHEMBL571998 | N-Benzyl-17-(cyclopropylmethyl)morp...)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccccc1 |r|
Show InChI InChI=1S/C27H34N2/c1-2-6-20(7-3-1)18-28-23-12-11-22-16-26-24-8-4-5-13-27(24,25(22)17-23)14-15-29(26)19-21-9-10-21/h1-3,6-7,11-12,17,21,24,26,28H,4-5,8-10,13-16,18-19H2/t24-,26+,27+/m0/s1
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0.340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303634
PNG
(17-Methylmorphinan-3-yl 4-Iodophenyl Carbamate | C...)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc31 |r|
Show InChI InChI=1S/C24H27IN2O2/c1-27-13-12-24-11-3-2-4-20(24)22(27)14-16-5-10-19(15-21(16)24)29-23(28)26-18-8-6-17(25)7-9-18/h5-10,15,20,22H,2-4,11-14H2,1H3,(H,26,28)/t20-,22+,24+/m0/s1
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0.340n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303625
PNG
(17-(Cyclopropylmethyl)-N-(4-methoxybenzyl)morphina...)
Show SMILES COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C28H36N2O/c1-31-24-11-7-20(8-12-24)18-29-23-10-9-22-16-27-25-4-2-3-13-28(25,26(22)17-23)14-15-30(27)19-21-5-6-21/h7-12,17,21,25,27,29H,2-6,13-16,18-19H2,1H3/t25-,27+,28+/m0/s1
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0.510n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303635
PNG
(17-(Cyclopropylmethyl)morphinan-3-yl 4-Iodophenyl ...)
Show SMILES Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H31IN2O2/c28-20-7-9-21(10-8-20)29-26(31)32-22-11-6-19-15-25-23-3-1-2-12-27(23,24(19)16-22)13-14-30(25)17-18-4-5-18/h6-11,16,18,23,25H,1-5,12-15,17H2,(H,29,31)/t23-,25+,27+/m0/s1
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0.580n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303632
PNG
(17-(Cyclobutylmethyl)-N-(4-methoxyphenyl)morphinan...)
Show SMILES COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:22:21:10.27.11:13|
Show InChI InChI=1S/C28H36N2O/c1-31-24-12-10-22(11-13-24)29-23-9-8-21-17-27-25-7-2-3-14-28(25,26(21)18-23)15-16-30(27)19-20-5-4-6-20/h8-13,18,20,25,27,29H,2-7,14-17,19H2,1H3/t25-,27+,28+/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303635
PNG
(17-(Cyclopropylmethyl)morphinan-3-yl 4-Iodophenyl ...)
Show SMILES Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H31IN2O2/c28-20-7-9-21(10-8-20)29-26(31)32-22-11-6-19-15-25-23-3-1-2-12-27(23,24(19)16-22)13-14-30(25)17-18-4-5-18/h6-11,16,18,23,25H,1-5,12-15,17H2,(H,29,31)/t23-,25+,27+/m0/s1
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0.600n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303632
PNG
(17-(Cyclobutylmethyl)-N-(4-methoxyphenyl)morphinan...)
Show SMILES COc1ccc(Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:22:21:10.27.11:13|
Show InChI InChI=1S/C28H36N2O/c1-31-24-12-10-22(11-13-24)29-23-9-8-21-17-27-25-7-2-3-14-28(25,26(21)18-23)15-16-30(27)19-20-5-4-6-20/h8-13,18,20,25,27,29H,2-7,14-17,19H2,1H3/t25-,27+,28+/m0/s1
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0.610n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303608
PNG
(17-N-(Cyclobutylmethyl)-3-hydroxymorphinan-2-carba...)
Show SMILES Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CN=O |r|
Show InChI InChI=1S/C22H30N2O2/c25-21-12-19-16(10-17(21)13-23-26)11-20-18-6-1-2-7-22(18,19)8-9-24(20)14-15-4-3-5-15/h10,12,15,18,20,25H,1-9,11,13-14H2/t18-,20+,22+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303623
PNG
(17-(Cyclopropylmethyl)-N-(4-iodobenzyl)morphinan-3...)
Show SMILES Ic1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H33IN2/c28-22-9-6-19(7-10-22)17-29-23-11-8-21-15-26-24-3-1-2-12-27(24,25(21)16-23)13-14-30(26)18-20-4-5-20/h6-11,16,20,24,26,29H,1-5,12-15,17-18H2/t24-,26+,27+/m0/s1
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0.710n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303623
PNG
(17-(Cyclopropylmethyl)-N-(4-iodobenzyl)morphinan-3...)
Show SMILES Ic1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H33IN2/c28-22-9-6-19(7-10-22)17-29-23-11-8-21-15-26-24-3-1-2-12-27(24,25(21)16-23)13-14-30(26)18-20-4-5-20/h6-11,16,20,24,26,29H,1-5,12-15,17-18H2/t24-,26+,27+/m0/s1
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0.790n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303598
PNG
(17-(Cyclobutylmethyl)morphinan-3-yl 4-Iodophenyl C...)
Show SMILES Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:24:23:12.29.13:15|
Show InChI InChI=1S/C28H33IN2O2/c29-21-8-10-22(11-9-21)30-27(32)33-23-12-7-20-16-26-24-6-1-2-13-28(24,25(20)17-23)14-15-31(26)18-19-4-3-5-19/h7-12,17,19,24,26H,1-6,13-16,18H2,(H,30,32)/t24-,26+,28+/m0/s1
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0.990n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303598
PNG
(17-(Cyclobutylmethyl)morphinan-3-yl 4-Iodophenyl C...)
Show SMILES Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:24:23:12.29.13:15|
Show InChI InChI=1S/C28H33IN2O2/c29-21-8-10-22(11-9-21)30-27(32)33-23-12-7-20-16-26-24-6-1-2-13-28(24,25(20)17-23)14-15-31(26)18-19-4-3-5-19/h7-12,17,19,24,26H,1-6,13-16,18H2,(H,30,32)/t24-,26+,28+/m0/s1
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1.10n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303633
PNG
(17-(Cyclobutylmethyl)-N-phenylmorphinan-3-amine | ...)
Show SMILES C(C1CCC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r,TLB:0:5:16.28.15:13|
Show InChI InChI=1S/C27H34N2/c1-2-9-22(10-3-1)28-23-13-12-21-17-26-24-11-4-5-14-27(24,25(21)18-23)15-16-29(26)19-20-7-6-8-20/h1-3,9-10,12-13,18,20,24,26,28H,4-8,11,14-17,19H2/t24-,26+,27+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303600
PNG
(CHEMBL571561 | N-[17-(Cyclopropylmethyl)morphinan-...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Show InChI InChI=1S/C27H33N3O/c31-26(28-21-6-2-1-3-7-21)29-22-12-11-20-16-25-23-8-4-5-13-27(23,24(20)17-22)14-15-30(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25H,4-5,8-10,13-16,18H2,(H2,28,29,31)/t23-,25+,27+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303633
PNG
(17-(Cyclobutylmethyl)-N-phenylmorphinan-3-amine | ...)
Show SMILES C(C1CCC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r,TLB:0:5:16.28.15:13|
Show InChI InChI=1S/C27H34N2/c1-2-9-22(10-3-1)28-23-13-12-21-17-26-24-11-4-5-14-27(24,25(21)18-23)15-16-29(26)19-20-7-6-8-20/h1-3,9-10,12-13,18,20,24,26,28H,4-8,11,14-17,19H2/t24-,26+,27+/m0/s1
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1.70n/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
Delta-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 |r|
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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1.70n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303631
PNG
(CHEMBL571560 | N-Benzyl-17-(cyclobutylmethyl)morph...)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccccc1 |r,TLB:17:16:5.22.6:8|
Show InChI InChI=1S/C28H36N2/c1-2-7-21(8-3-1)19-29-24-13-12-23-17-27-25-11-4-5-14-28(25,26(23)18-24)15-16-30(27)20-22-9-6-10-22/h1-3,7-8,12-13,18,22,25,27,29H,4-6,9-11,14-17,19-20H2/t25-,27+,28+/m0/s1
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1.70n/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
Delta-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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1.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303626
PNG
(17-(Cyclopropylmethyl)-N,N-bis(4-methoxybenzyl)mor...)
Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r,TLB:32:31:20.36.21:23|
Show InChI InChI=1S/C36H44N2O2/c1-39-31-14-8-27(9-15-31)24-38(25-28-10-16-32(40-2)17-11-28)30-13-12-29-21-35-33-5-3-4-18-36(33,34(29)22-30)19-20-37(35)23-26-6-7-26/h8-17,22,26,33,35H,3-7,18-21,23-25H2,1-2H3/t33-,35+,36+/m0/s1
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2.5n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303631
PNG
(CHEMBL571560 | N-Benzyl-17-(cyclobutylmethyl)morph...)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccccc1 |r,TLB:17:16:5.22.6:8|
Show InChI InChI=1S/C28H36N2/c1-2-7-21(8-3-1)19-29-24-13-12-23-17-27-25-11-4-5-14-28(25,26(23)18-24)15-16-30(27)20-22-9-6-10-22/h1-3,7-8,12-13,18,22,25,27,29H,4-6,9-11,14-17,19-20H2/t25-,27+,28+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303608
PNG
(17-N-(Cyclobutylmethyl)-3-hydroxymorphinan-2-carba...)
Show SMILES Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CN=O |r|
Show InChI InChI=1S/C22H30N2O2/c25-21-12-19-16(10-17(21)13-23-26)11-20-18-6-1-2-7-22(18,19)8-9-24(20)14-15-4-3-5-15/h10,12,15,18,20,25H,1-9,11,13-14H2/t18-,20+,22+/m0/s1
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3.80n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303626
PNG
(17-(Cyclopropylmethyl)-N,N-bis(4-methoxybenzyl)mor...)
Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r,TLB:32:31:20.36.21:23|
Show InChI InChI=1S/C36H44N2O2/c1-39-31-14-8-27(9-15-31)24-38(25-28-10-16-32(40-2)17-11-28)30-13-12-29-21-35-33-5-3-4-18-36(33,34(29)22-30)19-20-37(35)23-26-6-7-26/h8-17,22,26,33,35H,3-7,18-21,23-25H2,1-2H3/t33-,35+,36+/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303600
PNG
(CHEMBL571561 | N-[17-(Cyclopropylmethyl)morphinan-...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Show InChI InChI=1S/C27H33N3O/c31-26(28-21-6-2-1-3-7-21)29-22-12-11-20-16-25-23-8-4-5-13-27(23,24(20)17-22)14-15-30(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25H,4-5,8-10,13-16,18H2,(H2,28,29,31)/t23-,25+,27+/m0/s1
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3.90n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303611
PNG
(1,4-N,N-Bis(17-N-cyclobutylmethyl-3-hydroxymorphin...)
Show SMILES Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CNCCCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
Show InChI InChI=1S/C48H70N4O2/c53-45-27-41-35(25-43-39-13-1-3-15-47(39,41)17-21-51(43)31-33-9-7-10-33)23-37(45)29-49-19-5-6-20-50-30-38-24-36-26-44-40-14-2-4-16-48(40,42(36)28-46(38)54)18-22-52(44)32-34-11-8-12-34/h23-24,27-28,33-34,39-40,43-44,49-50,53-54H,1-22,25-26,29-32H2/t39-,40-,43+,44+,47+,48+/m0/s1
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4.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303634
PNG
(17-Methylmorphinan-3-yl 4-Iodophenyl Carbamate | C...)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(OC(=O)Nc2ccc(I)cc2)cc31 |r|
Show InChI InChI=1S/C24H27IN2O2/c1-27-13-12-24-11-3-2-4-20(24)22(27)14-16-5-10-19(15-21(16)24)29-23(28)26-18-8-6-17(25)7-9-18/h5-10,15,20,22H,2-4,11-14H2,1H3,(H,26,28)/t20-,22+,24+/m0/s1
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5.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303624
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-N-[(4-iodophenyl...)
Show SMILES Ic1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:22:21:10.27.11:13|
Show InChI InChI=1S/C28H35IN2/c29-23-10-7-20(8-11-23)18-30-24-12-9-22-16-27-25-6-1-2-13-28(25,26(22)17-24)14-15-31(27)19-21-4-3-5-21/h7-12,17,21,25,27,30H,1-6,13-16,18-19H2/t25-,27+,28+/m0/s1
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5.40n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50303630
PNG
(17-(Cyclopropylmethyl)-N-phenylmorphinan-3-amine |...)
Show SMILES C(C1CC1)N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(Nc2ccccc2)cc31 |r|
Show InChI InChI=1S/C26H32N2/c1-2-6-21(7-3-1)27-22-12-11-20-16-25-23-8-4-5-13-26(23,24(20)17-22)14-15-28(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25,27H,4-5,8-10,13-16,18H2/t23-,25+,26+/m0/s1
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5.40n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303624
PNG
((1R,9R,10R)-17-(cyclobutylmethyl)-N-[(4-iodophenyl...)
Show SMILES Ic1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:22:21:10.27.11:13|
Show InChI InChI=1S/C28H35IN2/c29-23-10-7-20(8-11-23)18-30-24-12-9-22-16-27-25-6-1-2-13-28(25,26(22)17-24)14-15-31(27)19-21-4-3-5-21/h7-12,17,21,25,27,30H,1-6,13-16,18-19H2/t25-,27+,28+/m0/s1
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5.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50135808
PNG
((-)-3-Hydroxy-N-cyclobutylmethylmorphinan S(+)-Man...)
Show SMILES Oc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r,TLB:16:15:4.21.5:7|
Show InChI InChI=1S/C21H29NO/c23-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-22(20)14-15-4-3-5-15/h7-8,13,15,18,20,23H,1-6,9-12,14H2/t18-,20+,21+/m0/s1
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5.90n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303611
PNG
(1,4-N,N-Bis(17-N-cyclobutylmethyl-3-hydroxymorphin...)
Show SMILES Oc1cc2c(C[C@@H]3[C@@H]4CCCC[C@]24CCN3CC2CCC2)cc1CNCCCCNCc1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r|
Show InChI InChI=1S/C48H70N4O2/c53-45-27-41-35(25-43-39-13-1-3-15-47(39,41)17-21-51(43)31-33-9-7-10-33)23-37(45)29-49-19-5-6-20-50-30-38-24-36-26-44-40-14-2-4-16-48(40,42(36)28-46(38)54)18-22-52(44)32-34-11-8-12-34/h23-24,27-28,33-34,39-40,43-44,49-50,53-54H,1-22,25-26,29-32H2/t39-,40-,43+,44+,47+,48+/m0/s1
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6.80n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303599
PNG
(CHEMBL568829 | N-(17-Methylmorphinan-3-yl)-N'-phen...)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccccc2)cc31 |r|
Show InChI InChI=1S/C24H29N3O/c1-27-14-13-24-12-6-5-9-20(24)22(27)15-17-10-11-19(16-21(17)24)26-23(28)25-18-7-3-2-4-8-18/h2-4,7-8,10-11,16,20,22H,5-6,9,12-15H2,1H3,(H2,25,26,28)/t20-,22+,24+/m0/s1
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11n/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303602
PNG
(CHEMBL569725 | N-[17-(Cyclopropylmethyl)morphinan-...)
Show SMILES Ic1ccc(NC(=O)Nc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H32IN3O/c28-20-7-10-21(11-8-20)29-26(32)30-22-9-6-19-15-25-23-3-1-2-12-27(23,24(19)16-22)13-14-31(25)17-18-4-5-18/h6-11,16,18,23,25H,1-5,12-15,17H2,(H2,29,30,32)/t23-,25+,27+/m0/s1
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12n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303619
PNG
((rac)-2-(1-Hydroxypentyl)-3-hydroxy-17-N-cyclobuty...)
Show SMILES CCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:20:19:8.25.9:11|
Show InChI InChI=1S/C26H39NO2/c1-2-3-10-24(28)20-14-19-15-23-21-9-4-5-11-26(21,22(19)16-25(20)29)12-13-27(23)17-18-7-6-8-18/h14,16,18,21,23-24,28-29H,2-13,15,17H2,1H3/t21-,23+,24?,26+/m0/s1
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13n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303604
PNG
(2-Hydroxymethyl-3-hydroxymorphinan | CHEMBL570449)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CO)c(O)cc31 |r,TLB:0:1:12.20.11:9|
Show InChI InChI=1S/C18H25NO2/c1-19-7-6-18-5-3-2-4-14(18)16(19)9-12-8-13(11-20)17(21)10-15(12)18/h8,10,14,16,20-21H,2-7,9,11H2,1H3/t14-,16+,18+/m0/s1
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15n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50303635
PNG
(17-(Cyclopropylmethyl)morphinan-3-yl 4-Iodophenyl ...)
Show SMILES Ic1ccc(NC(=O)Oc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H31IN2O2/c28-20-7-9-21(10-8-20)29-26(31)32-22-11-6-19-15-25-23-3-1-2-12-27(23,24(19)16-22)13-14-30(25)17-18-4-5-18/h6-11,16,18,23,25H,1-5,12-15,17H2,(H,29,31)/t23-,25+,27+/m0/s1
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15n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta 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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50303627
PNG
(17-(Cyclobutylmethyl)-N,N-bis(4-iodobenzyl)morphin...)
Show SMILES Ic1ccc(CN(Cc2ccc(I)cc2)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:30:29:18.35.19:21|
Show InChI InChI=1S/C35H40I2N2/c36-29-12-7-26(8-13-29)23-39(24-27-9-14-30(37)15-10-27)31-16-11-28-20-34-32-6-1-2-17-35(32,33(28)21-31)18-19-38(34)22-25-4-3-5-25/h7-16,21,25,32,34H,1-6,17-20,22-24H2/t32-,34+,35+/m0/s1
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16n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa 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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50303600
PNG
(CHEMBL571561 | N-[17-(Cyclopropylmethyl)morphinan-...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Show InChI InChI=1S/C27H33N3O/c31-26(28-21-6-2-1-3-7-21)29-22-12-11-20-16-25-23-8-4-5-13-27(23,24(20)17-22)14-15-30(25)18-19-9-10-19/h1-3,6-7,11-12,17,19,23,25H,4-5,8-10,13-16,18H2,(H2,28,29,31)/t23-,25+,27+/m0/s1
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16n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta 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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303627
PNG
(17-(Cyclobutylmethyl)-N,N-bis(4-iodobenzyl)morphin...)
Show SMILES Ic1ccc(CN(Cc2ccc(I)cc2)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r,TLB:30:29:18.35.19:21|
Show InChI InChI=1S/C35H40I2N2/c36-29-12-7-26(8-13-29)23-39(24-27-9-14-30(37)15-10-27)31-16-11-28-20-34-32-6-1-2-17-35(32,33(28)21-31)18-19-38(34)22-25-4-3-5-25/h7-16,21,25,32,34H,1-6,17-20,22-24H2/t32-,34+,35+/m0/s1
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16n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303619
PNG
((rac)-2-(1-Hydroxypentyl)-3-hydroxy-17-N-cyclobuty...)
Show SMILES CCCCC(O)c1cc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2cc1O |r,TLB:20:19:8.25.9:11|
Show InChI InChI=1S/C26H39NO2/c1-2-3-10-24(28)20-14-19-15-23-21-9-4-5-11-26(21,22(19)16-25(20)29)12-13-27(23)17-18-7-6-8-18/h14,16,18,21,23-24,28-29H,2-13,15,17H2,1H3/t21-,23+,24?,26+/m0/s1
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17n/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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50303601
PNG
(CHEMBL569724 | N-(4-Iodophenyl)-N'-(17-methylmorph...)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NC(=O)Nc2ccc(I)cc2)cc31 |r|
Show InChI InChI=1S/C24H28IN3O/c1-28-13-12-24-11-3-2-4-20(24)22(28)14-16-5-8-19(15-21(16)24)27-23(29)26-18-9-6-17(25)7-10-18/h5-10,15,20,22H,2-4,11-14H2,1H3,(H2,26,27,29)/t20-,22+,24+/m0/s1
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17n/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
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