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PubMed code 22439881

Compile data set for download or QSAR
Found 157 hits of Enzyme Inhibition Constant Data   
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
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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PubMed
 0.0340n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
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 cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
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]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386664
PNG
(CHEMBL2048772)
Show SMILES Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-5-3-4-20(14-23)17-28-22-10-9-21-15-26-24-6-1-2-11-27(24,25(21)16-22)12-13-29(26)18-19-7-8-19/h3-5,9-10,14,16,19,24,26,28,30H,1-2,6-8,11-13,15,17-18H2/t24-,26+,27+/m0/s1
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 0.160n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386678
PNG
(CHEMBL2048766)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C28H34N2O2/c1-2-10-28-11-12-30(17-19-4-5-19)25(23(28)3-1)14-21-7-8-22(15-24(21)28)29-16-20-6-9-26-27(13-20)32-18-31-26/h6-9,13,15,19,23,25,29H,1-5,10-12,14,16-18H2/t23-,25+,28+/m0/s1
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 0.170n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50137997
PNG
(3-Amino-N-cyclopropylmethylmorphinan | 3-aminocycl...)
Show SMILES Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H28N2/c21-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-22(19)13-14-4-5-14/h6-7,12,14,17,19H,1-5,8-11,13,21H2/t17-,19+,20+/m0/s1
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 0.180n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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 0.210n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386674
PNG
(CHEMBL2048771)
Show SMILES Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-26-7-2-1-5-21(26)17-28-22-11-10-20-15-25-23-6-3-4-12-27(23,24(20)16-22)13-14-29(25)18-19-8-9-19/h1-2,5,7,10-11,16,19,23,25,28,30H,3-4,6,8-9,12-15,17-18H2/t23-,25+,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]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386673
PNG
(CHEMBL2048773)
Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-10-6-19(7-11-23)17-28-22-9-8-21-15-26-24-3-1-2-12-27(24,25(21)16-22)13-14-29(26)18-20-4-5-20/h6-11,16,20,24,26,28,30H,1-5,12-15,17-18H2/t24-,26+,27+/m0/s1
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 0.270n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386673
PNG
(CHEMBL2048773)
Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-10-6-19(7-11-23)17-28-22-9-8-21-15-26-24-3-1-2-12-27(24,25(21)16-22)13-14-29(26)18-20-4-5-20/h6-11,16,20,24,26,28,30H,1-5,12-15,17-18H2/t24-,26+,27+/m0/s1
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 0.280n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386675
PNG
(CHEMBL2048769)
Show SMILES Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H36N2O/c31-24-8-4-7-21(15-24)18-29-23-11-10-22-16-27-25-9-1-2-12-28(25,26(22)17-23)13-14-30(27)19-20-5-3-6-20/h4,7-8,10-11,15,17,20,25,27,29,31H,1-3,5-6,9,12-14,16,18-19H2/t25-,27+,28+/m0/s1
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 0.320n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
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]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386681
PNG
(CHEMBL2048764)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C29H36N2O2/c1-2-11-29-12-13-31(18-20-4-3-5-20)26(24(29)6-1)15-22-8-9-23(16-25(22)29)30-17-21-7-10-27-28(14-21)33-19-32-27/h7-10,14,16,20,24,26,30H,1-6,11-13,15,17-19H2/t24-,26+,29+/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386665
PNG
(CHEMBL2048770)
Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C28H36N2O/c31-24-11-7-20(8-12-24)18-29-23-10-9-22-16-27-25-6-1-2-13-28(25,26(22)17-23)14-15-30(27)19-21-4-3-5-21/h7-12,17,21,25,27,29,31H,1-6,13-16,18-19H2/t25-,27+,28+/m0/s1
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 0.350n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386664
PNG
(CHEMBL2048772)
Show SMILES Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-5-3-4-20(14-23)17-28-22-10-9-21-15-26-24-6-1-2-11-27(24,25(21)16-22)12-13-29(26)18-19-7-8-19/h3-5,9-10,14,16,19,24,26,28,30H,1-2,6-8,11-13,15,17-18H2/t24-,26+,27+/m0/s1
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 0.360n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386672
PNG
(CHEMBL2048774)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NCc2cccc(O)c2)cc31 |r,TLB:0:1:9:26.12.11|
Show InChI InChI=1S/C24H30N2O/c1-26-12-11-24-10-3-2-7-21(24)23(26)14-18-8-9-19(15-22(18)24)25-16-17-5-4-6-20(27)13-17/h4-6,8-9,13,15,21,23,25,27H,2-3,7,10-12,14,16H2,1H3/t21-,23+,24+/m0/s1
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 0.420n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386677
PNG
(CHEMBL2048767)
Show SMILES [O-][N+](=O)c1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H35N3O2/c32-31(33)24-8-4-7-21(15-24)18-29-23-11-10-22-16-27-25-9-1-2-12-28(25,26(22)17-23)13-14-30(27)19-20-5-3-6-20/h4,7-8,10-11,15,17,20,25,27,29H,1-3,5-6,9,12-14,16,18-19H2/t25-,27+,28+/m0/s1
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 0.430n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
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]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386679
PNG
(CHEMBL2048765)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H36N2O/c1-31-24-6-4-5-21(15-24)18-29-23-11-10-22-16-27-25-7-2-3-12-28(25,26(22)17-23)13-14-30(27)19-20-8-9-20/h4-6,10-11,15,17,20,25,27,29H,2-3,7-9,12-14,16,18-19H2,1H3/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]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386678
PNG
(CHEMBL2048766)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C28H34N2O2/c1-2-10-28-11-12-30(17-19-4-5-19)25(23(28)3-1)14-21-7-8-22(15-24(21)28)29-16-20-6-9-26-27(13-20)32-18-31-26/h6-9,13,15,19,23,25,29H,1-5,10-12,14,16-18H2/t23-,25+,28+/m0/s1
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 0.530n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386663
PNG
(CHEMBL2048761)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-25-9-5-8-22(16-25)19-30-24-12-11-23-17-28-26-10-2-3-13-29(26,27(23)18-24)14-15-31(28)20-21-6-4-7-21/h5,8-9,11-12,16,18,21,26,28,30H,2-4,6-7,10,13-15,17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 0.690n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386683
PNG
(CHEMBL2048762)
Show SMILES COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-25-12-8-21(9-13-25)19-30-24-11-10-23-17-28-26-7-2-3-14-29(26,27(23)18-24)15-16-31(28)20-22-5-4-6-22/h8-13,18,22,26,28,30H,2-7,14-17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 0.860n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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 0.880n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386690
PNG
(CHEMBL2048781)
Show SMILES Oc1cccc(CNc2ccc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)c2)c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-5-3-4-20(14-23)17-28-22-9-10-24-21(15-22)16-26-25-6-1-2-11-27(24,25)12-13-29(26)18-19-7-8-19/h3-5,9-10,14-15,19,25-26,28,30H,1-2,6-8,11-13,16-18H2/t25-,26+,27-/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]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386681
PNG
(CHEMBL2048764)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C29H36N2O2/c1-2-11-29-12-13-31(18-20-4-3-5-20)26(24(29)6-1)15-22-8-9-23(16-25(22)29)30-17-21-7-10-27-28(14-21)33-19-32-27/h7-10,14,16,20,24,26,30H,1-6,11-13,15,17-19H2/t24-,26+,29+/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]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386677
PNG
(CHEMBL2048767)
Show SMILES [O-][N+](=O)c1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H35N3O2/c32-31(33)24-8-4-7-21(15-24)18-29-23-11-10-22-16-27-25-9-1-2-12-28(25,26(22)17-23)13-14-30(27)19-20-5-3-6-20/h4,7-8,10-11,15,17,20,25,27,29H,1-3,5-6,9,12-14,16,18-19H2/t25-,27+,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]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386680
PNG
(CHEMBL2046467)
Show SMILES COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Show InChI InChI=1S/C28H36N2O/c1-31-27-8-3-2-6-22(27)18-29-23-12-11-21-16-26-24-7-4-5-13-28(24,25(21)17-23)14-15-30(26)19-20-9-10-20/h2-3,6,8,11-12,17,20,24,26,29H,4-5,7,9-10,13-16,18-19H2,1H3/t24-,26+,28+/m0/s1
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 1.20n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50137997
PNG
(3-Amino-N-cyclopropylmethylmorphinan | 3-aminocycl...)
Show SMILES Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H28N2/c21-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-22(19)13-14-4-5-14/h6-7,12,14,17,19H,1-5,8-11,13,21H2/t17-,19+,20+/m0/s1
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 1.30n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386680
PNG
(CHEMBL2046467)
Show SMILES COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Show InChI InChI=1S/C28H36N2O/c1-31-27-8-3-2-6-22(27)18-29-23-12-11-21-16-26-24-7-4-5-13-28(24,25(21)17-23)14-15-30(26)19-20-9-10-20/h2-3,6,8,11-12,17,20,24,26,29H,4-5,7,9-10,13-16,18-19H2,1H3/t24-,26+,28+/m0/s1
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 1.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386679
PNG
(CHEMBL2048765)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H36N2O/c1-31-24-6-4-5-21(15-24)18-29-23-11-10-22-16-27-25-7-2-3-12-28(25,26(22)17-23)13-14-30(27)19-20-8-9-20/h4-6,10-11,15,17,20,25,27,29H,2-3,7-9,12-14,16,18-19H2,1H3/t25-,27+,28+/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]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386676
PNG
(CHEMBL2048768)
Show SMILES Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C28H36N2O/c31-27-10-2-1-8-22(27)18-29-23-12-11-21-16-26-24-9-3-4-13-28(24,25(21)17-23)14-15-30(26)19-20-6-5-7-20/h1-2,8,10-12,17,20,24,26,29,31H,3-7,9,13-16,18-19H2/t24-,26+,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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386676
PNG
(CHEMBL2048768)
Show SMILES Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C28H36N2O/c31-27-10-2-1-8-22(27)18-29-23-12-11-21-16-26-24-9-3-4-13-28(24,25(21)17-23)14-15-30(26)19-20-6-5-7-20/h1-2,8,10-12,17,20,24,26,29,31H,3-7,9,13-16,18-19H2/t24-,26+,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]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386682
PNG
(CHEMBL2048763)
Show SMILES Clc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C28H35ClN2/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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 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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50138014
PNG
(3-Amino-N-cyclobutylmethylmorphinan | 3-aminobutor...)
Show SMILES Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H30N2/c22-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-23(20)14-15-4-3-5-15/h7-8,13,15,18,20H,1-6,9-12,14,22H2/t18-,20+,21+/m0/s1
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 1.80n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386674
PNG
(CHEMBL2048771)
Show SMILES Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-26-7-2-1-5-21(26)17-28-22-11-10-20-15-25-23-6-3-4-12-27(23,24(20)16-22)13-14-29(25)18-19-8-9-19/h1-2,5,7,10-11,16,19,23,25,28,30H,3-4,6,8-9,12-15,17-18H2/t23-,25+,27+/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]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386675
PNG
(CHEMBL2048769)
Show SMILES Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H36N2O/c31-24-8-4-7-21(15-24)18-29-23-11-10-22-16-27-25-9-1-2-12-28(25,26(22)17-23)13-14-30(27)19-20-5-3-6-20/h4,7-8,10-11,15,17,20,25,27,29,31H,1-3,5-6,9,12-14,16,18-19H2/t25-,27+,28+/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]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386684
PNG
(CHEMBL2048760)
Show SMILES COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-28-11-3-2-9-23(28)19-30-24-13-12-22-17-27-25-10-4-5-14-29(25,26(22)18-24)15-16-31(27)20-21-7-6-8-21/h2-3,9,11-13,18,21,25,27,30H,4-8,10,14-17,19-20H2,1H3/t25-,27+,29+/m0/s1
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 2.20n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386665
PNG
(CHEMBL2048770)
Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C28H36N2O/c31-24-11-7-20(8-12-24)18-29-23-10-9-22-16-27-25-6-1-2-13-28(25,26(22)17-23)14-15-30(27)19-21-4-3-5-21/h7-12,17,21,25,27,29,31H,1-6,13-16,18-19H2/t25-,27+,28+/m0/s1
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 2.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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 2.30n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386684
PNG
(CHEMBL2048760)
Show SMILES COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-28-11-3-2-9-23(28)19-30-24-13-12-22-17-27-25-10-4-5-14-29(25,26(22)18-24)15-16-31(27)20-21-7-6-8-21/h2-3,9,11-13,18,21,25,27,30H,4-8,10,14-17,19-20H2,1H3/t25-,27+,29+/m0/s1
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 2.70n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
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]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386666
PNG
(CHEMBL2048780)
Show SMILES CN(Cc1ccc(O)cc1)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-30(19-22-8-12-25(32)13-9-22)24-11-10-23-17-28-26-7-2-3-14-29(26,27(23)18-24)15-16-31(28)20-21-5-4-6-21/h8-13,18,21,26,28,32H,2-7,14-17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 3.20n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386663
PNG
(CHEMBL2048761)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-25-9-5-8-22(16-25)19-30-24-12-11-23-17-28-26-10-2-3-13-29(26,27(23)18-24)14-15-31(28)20-21-6-4-7-21/h5,8-9,11-12,16,18,21,26,28,30H,2-4,6-7,10,13-15,17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 3.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50138014
PNG
(3-Amino-N-cyclobutylmethylmorphinan | 3-aminobutor...)
Show SMILES Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H30N2/c22-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-23(20)14-15-4-3-5-15/h7-8,13,15,18,20H,1-6,9-12,14,22H2/t18-,20+,21+/m0/s1
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 3.70n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386666
PNG
(CHEMBL2048780)
Show SMILES CN(Cc1ccc(O)cc1)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-30(19-22-8-12-25(32)13-9-22)24-11-10-23-17-28-26-7-2-3-14-29(26,27(23)18-24)15-16-31(28)20-21-5-4-6-21/h8-13,18,21,26,28,32H,2-7,14-17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 4.10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50017233
PNG
(CHEMBL592 | LEVO-DROMORAN | LEVORPHANOL)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc31 |r,TLB:0:1:12.18.11:9|
Show InChI InChI=1S/C17H23NO/c1-18-9-8-17-7-3-2-4-14(17)16(18)10-12-5-6-13(19)11-15(12)17/h5-6,11,14,16,19H,2-4,7-10H2,1H3/t14-,16+,17+/m0/s1
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 4.20n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386683
PNG
(CHEMBL2048762)
Show SMILES COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-25-12-8-21(9-13-25)19-30-24-11-10-23-17-28-26-7-2-3-14-29(26,27(23)18-24)15-16-31(28)20-22-5-4-6-22/h8-13,18,22,26,28,30H,2-7,14-17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 4.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386682
PNG
(CHEMBL2048763)
Show SMILES Clc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C28H35ClN2/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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 4.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386691
PNG
(CHEMBL2048786)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5NCc1cccc(O)c1 |r,c:16|
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-24-17-6-8-20(28)23(24)29-22-18(7-5-15(21(22)24)12-19(17)26)25-13-14-3-2-4-16(27)11-14/h2-8,11,17,19-20,23,25,27-28H,9-10,12-13H2,1H3/t17-,19+,20-,23-,24-/m0/s1
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 7n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50138010
PNG
(3-Amino-N-methylmorphinan | CHEMBL48420 | US107668...)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc31
Show InChI InChI=1S/C17H24N2/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10,18H2,1H3/t14-,16+,17+/m0/s1
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 7.90n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386688
PNG
(CHEMBL2048782)
Show SMILES COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |r,c:18|
Show InChI InChI=1S/C25H28N2O3/c1-27-12-11-25-17-8-10-20(28)24(25)30-23-18(9-7-15(22(23)25)13-19(17)27)26-14-16-5-3-4-6-21(16)29-2/h3-10,17,19-20,24,26,28H,11-14H2,1-2H3/t17-,19+,20-,24-,25-/m0/s1
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 8.5n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386669
PNG
(CHEMBL2048777)
Show SMILES COc1ccc(CN(C)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C30H40N2O/c1-31(20-23-9-13-26(33-2)14-10-23)25-12-11-24-18-29-27-8-3-4-15-30(27,28(24)19-25)16-17-32(29)21-22-6-5-7-22/h9-14,19,22,27,29H,3-8,15-18,20-21H2,1-2H3/t27-,29+,30+/m0/s1
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 8.5n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386689
PNG
(Dihydrocodinone | HYDROCODONE)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C |r|
Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
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 9.5n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386669
PNG
(CHEMBL2048777)
Show SMILES COc1ccc(CN(C)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C30H40N2O/c1-31(20-23-9-13-26(33-2)14-10-23)25-12-11-24-18-29-27-8-3-4-15-30(27,28(24)19-25)16-17-32(29)21-22-6-5-7-22/h9-14,19,22,27,29H,3-8,15-18,20-21H2,1-2H3/t27-,29+,30+/m0/s1
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 9.5n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386672
PNG
(CHEMBL2048774)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NCc2cccc(O)c2)cc31 |r,TLB:0:1:9:26.12.11|
Show InChI InChI=1S/C24H30N2O/c1-26-12-11-24-10-3-2-7-21(24)23(26)14-18-8-9-19(15-22(18)24)25-16-17-5-4-6-20(27)13-17/h4-6,8-9,13,15,21,23,25,27H,2-3,7,10-12,14,16H2,1H3/t21-,23+,24+/m0/s1
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 10n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386670
PNG
(CHEMBL2048776)
Show SMILES COc1cccc(CN(C)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C30H40N2O/c1-31(20-23-9-6-10-26(17-23)33-2)25-13-12-24-18-29-27-11-3-4-14-30(27,28(24)19-25)15-16-32(29)21-22-7-5-8-22/h6,9-10,12-13,17,19,22,27,29H,3-5,7-8,11,14-16,18,20-21H2,1-2H3/t27-,29+,30+/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]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386673
PNG
(CHEMBL2048773)
Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-10-6-19(7-11-23)17-28-22-9-8-21-15-26-24-3-1-2-12-27(24,25(21)16-22)13-14-29(26)18-20-4-5-20/h6-11,16,20,24,26,28,30H,1-5,12-15,17-18H2/t24-,26+,27+/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]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386686
PNG
(CHEMBL2048785)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5NCc1ccccc1O |r,c:16|
Show InChI InChI=1S/C24H26N2O3/c1-26-11-10-24-16-7-9-20(28)23(24)29-22-17(8-6-14(21(22)24)12-18(16)26)25-13-15-4-2-3-5-19(15)27/h2-9,16,18,20,23,25,27-28H,10-13H2,1H3/t16-,18+,20-,23-,24-/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]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386671
PNG
(CHEMBL2048775)
Show SMILES COc1ccccc1CN(C)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C30H40N2O/c1-31(21-24-10-3-4-12-29(24)33-2)25-14-13-23-18-28-26-11-5-6-15-30(26,27(23)19-25)16-17-32(28)20-22-8-7-9-22/h3-4,10,12-14,19,22,26,28H,5-9,11,15-18,20-21H2,1-2H3/t26-,28+,30+/m0/s1
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 14n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386667
PNG
(CHEMBL2048779)
Show SMILES CN(Cc1cccc(O)c1)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-30(19-22-8-5-9-25(32)16-22)24-12-11-23-17-28-26-10-2-3-13-29(26,27(23)18-24)14-15-31(28)20-21-6-4-7-21/h5,8-9,11-12,16,18,21,26,28,32H,2-4,6-7,10,13-15,17,19-20H2,1H3/t26-,28+,29+/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386671
PNG
(CHEMBL2048775)
Show SMILES COc1ccccc1CN(C)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C30H40N2O/c1-31(21-24-10-3-4-12-29(24)33-2)25-14-13-23-18-28-26-11-5-6-15-30(26,27(23)19-25)16-17-32(28)20-22-8-7-9-22/h3-4,10,12-14,19,22,26,28H,5-9,11,15-18,20-21H2,1-2H3/t26-,28+,30+/m0/s1
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 19n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-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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 20n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386678
PNG
(CHEMBL2048766)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C28H34N2O2/c1-2-10-28-11-12-30(17-19-4-5-19)25(23(28)3-1)14-21-7-8-22(15-24(21)28)29-16-20-6-9-26-27(13-20)32-18-31-26/h6-9,13,15,19,23,25,29H,1-5,10-12,14,16-18H2/t23-,25+,28+/m0/s1
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 20n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386667
PNG
(CHEMBL2048779)
Show SMILES CN(Cc1cccc(O)c1)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-30(19-22-8-5-9-25(32)16-22)24-12-11-23-17-28-26-10-2-3-13-29(26,27(23)18-24)14-15-31(28)20-21-6-4-7-21/h5,8-9,11-12,16,18,21,26,28,32H,2-4,6-7,10,13-15,17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 23n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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 24n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386670
PNG
(CHEMBL2048776)
Show SMILES COc1cccc(CN(C)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C30H40N2O/c1-31(20-23-9-6-10-26(17-23)33-2)25-13-12-24-18-29-27-11-3-4-14-30(27,28(24)19-25)15-16-32(29)21-22-7-5-8-22/h6,9-10,12-13,17,19,22,27,29H,3-5,7-8,11,14-16,18,20-21H2,1-2H3/t27-,29+,30+/m0/s1
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 25n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386668
PNG
(CHEMBL2048778)
Show SMILES CN(Cc1ccc(Cl)cc1)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C29H37ClN2/c1-31(19-22-8-11-24(30)12-9-22)25-13-10-23-17-28-26-7-2-3-14-29(26,27(23)18-25)15-16-32(28)20-21-5-4-6-21/h8-13,18,21,26,28H,2-7,14-17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 26n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386668
PNG
(CHEMBL2048778)
Show SMILES CN(Cc1ccc(Cl)cc1)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C29H37ClN2/c1-31(19-22-8-11-24(30)12-9-22)25-13-10-23-17-28-26-7-2-3-14-29(26,27(23)18-25)15-16-32(28)20-21-5-4-6-21/h8-13,18,21,26,28H,2-7,14-17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 27n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-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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 29n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386674
PNG
(CHEMBL2048771)
Show SMILES Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-26-7-2-1-5-21(26)17-28-22-11-10-20-15-25-23-6-3-4-12-27(23,24(20)16-22)13-14-29(25)18-19-8-9-19/h1-2,5,7,10-11,16,19,23,25,28,30H,3-4,6,8-9,12-15,17-18H2/t23-,25+,27+/m0/s1
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 30n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386664
PNG
(CHEMBL2048772)
Show SMILES Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-5-3-4-20(14-23)17-28-22-10-9-21-15-26-24-6-1-2-11-27(24,25(21)16-22)12-13-29(26)18-19-7-8-19/h3-5,9-10,14,16,19,24,26,28,30H,1-2,6-8,11-13,15,17-18H2/t24-,26+,27+/m0/s1
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 41n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386685
PNG
(CHEMBL2048787)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5NCc1ccc(O)cc1 |r,c:16|
Show InChI InChI=1S/C24H26N2O3/c1-26-11-10-24-17-7-9-20(28)23(24)29-22-18(8-4-15(21(22)24)12-19(17)26)25-13-14-2-5-16(27)6-3-14/h2-9,17,19-20,23,25,27-28H,10-13H2,1H3/t17-,19+,20-,23-,24-/m0/s1
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 44n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386687
PNG
(CHEMBL2048783)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5C=C[C@H](O)[C@@H]6Oc2c3[C@]56CCN4C)c1 |r,c:16|
Show InChI InChI=1S/C25H28N2O3/c1-27-11-10-25-18-7-9-21(28)24(25)30-23-19(8-6-16(22(23)25)13-20(18)27)26-14-15-4-3-5-17(12-15)29-2/h3-9,12,18,20-21,24,26,28H,10-11,13-14H2,1-2H3/t18-,20+,21-,24-,25-/m0/s1
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 45n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386681
PNG
(CHEMBL2048764)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C29H36N2O2/c1-2-11-29-12-13-31(18-20-4-3-5-20)26(24(29)6-1)15-22-8-9-23(16-25(22)29)30-17-21-7-10-27-28(14-21)33-19-32-27/h7-10,14,16,20,24,26,30H,1-6,11-13,15,17-19H2/t24-,26+,29+/m0/s1
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 53n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386692
PNG
(CHEMBL2048784)
Show SMILES COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5C=C[C@H](O)[C@@H]6Oc2c3[C@]56CCN4C)cc1 |r,c:15|
Show InChI InChI=1S/C25H28N2O3/c1-27-12-11-25-18-8-10-21(28)24(25)30-23-19(9-5-16(22(23)25)13-20(18)27)26-14-15-3-6-17(29-2)7-4-15/h3-10,18,20-21,24,26,28H,11-14H2,1-2H3/t18-,20+,21-,24-,25-/m0/s1
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 60n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386684
PNG
(CHEMBL2048760)
Show SMILES COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-28-11-3-2-9-23(28)19-30-24-13-12-22-17-27-25-10-4-5-14-29(25,26(22)18-24)15-16-31(27)20-21-7-6-8-21/h2-3,9,11-13,18,21,25,27,30H,4-8,10,14-17,19-20H2,1H3/t25-,27+,29+/m0/s1
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 61n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386682
PNG
(CHEMBL2048763)
Show SMILES Clc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C28H35ClN2/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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 100n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50138010
PNG
(3-Amino-N-methylmorphinan | CHEMBL48420 | US107668...)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc31
Show InChI InChI=1S/C17H24N2/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10,18H2,1H3/t14-,16+,17+/m0/s1
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 110n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386676
PNG
(CHEMBL2048768)
Show SMILES Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C28H36N2O/c31-27-10-2-1-8-22(27)18-29-23-12-11-21-16-26-24-9-3-4-13-28(24,25(21)17-23)14-15-30(26)19-20-6-5-7-20/h1-2,8,10-12,17,20,24,26,29,31H,3-7,9,13-16,18-19H2/t24-,26+,28+/m0/s1
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 110n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386679
PNG
(CHEMBL2048765)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H36N2O/c1-31-24-6-4-5-21(15-24)18-29-23-11-10-22-16-27-25-7-2-3-12-28(25,26(22)17-23)13-14-30(27)19-20-8-9-20/h4-6,10-11,15,17,20,25,27,29H,2-3,7-9,12-14,16,18-19H2,1H3/t25-,27+,28+/m0/s1
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 110n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386665
PNG
(CHEMBL2048770)
Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C28H36N2O/c31-24-11-7-20(8-12-24)18-29-23-10-9-22-16-27-25-6-1-2-13-28(25,26(22)17-23)14-15-30(27)19-21-4-3-5-21/h7-12,17,21,25,27,29,31H,1-6,13-16,18-19H2/t25-,27+,28+/m0/s1
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 120n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-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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 130n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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 140n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386677
PNG
(CHEMBL2048767)
Show SMILES [O-][N+](=O)c1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H35N3O2/c32-31(33)24-8-4-7-21(15-24)18-29-23-11-10-22-16-27-25-9-1-2-12-28(25,26(22)17-23)13-14-30(27)19-20-5-3-6-20/h4,7-8,10-11,15,17,20,25,27,29H,1-3,5-6,9,12-14,16,18-19H2/t25-,27+,28+/m0/s1
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 150n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386663
PNG
(CHEMBL2048761)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-25-9-5-8-22(16-25)19-30-24-12-11-23-17-28-26-10-2-3-13-29(26,27(23)18-24)14-15-31(28)20-21-6-4-7-21/h5,8-9,11-12,16,18,21,26,28,30H,2-4,6-7,10,13-15,17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 150n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50137997
PNG
(3-Amino-N-cyclopropylmethylmorphinan | 3-aminocycl...)
Show SMILES Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1
Show InChI InChI=1S/C20H28N2/c21-16-7-6-15-11-19-17-3-1-2-8-20(17,18(15)12-16)9-10-22(19)13-14-4-5-14/h6-7,12,14,17,19H,1-5,8-11,13,21H2/t17-,19+,20+/m0/s1
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 150n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386690
PNG
(CHEMBL2048781)
Show SMILES Oc1cccc(CNc2ccc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)c2)c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-5-3-4-20(14-23)17-28-22-9-10-24-21(15-22)16-26-25-6-1-2-11-27(24,25)12-13-29(26)18-19-7-8-19/h3-5,9-10,14-15,19,25-26,28,30H,1-2,6-8,11-13,16-18H2/t25-,26+,27-/m0/s1
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 150n/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 after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386680
PNG
(CHEMBL2046467)
Show SMILES COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Show InChI InChI=1S/C28H36N2O/c1-31-27-8-3-2-6-22(27)18-29-23-12-11-21-16-26-24-7-4-5-13-28(24,25(21)17-23)14-15-30(26)19-20-9-10-20/h2-3,6,8,11-12,17,20,24,26,29H,4-5,7,9-10,13-16,18-19H2,1H3/t24-,26+,28+/m0/s1
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 160n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386667
PNG
(CHEMBL2048779)
Show SMILES CN(Cc1cccc(O)c1)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-30(19-22-8-5-9-25(32)16-22)24-12-11-23-17-28-26-10-2-3-13-29(26,27(23)18-24)14-15-31(28)20-21-6-4-7-21/h5,8-9,11-12,16,18,21,26,28,32H,2-4,6-7,10,13-15,17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 170n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50138014
PNG
(3-Amino-N-cyclobutylmethylmorphinan | 3-aminobutor...)
Show SMILES Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1
Show InChI InChI=1S/C21H30N2/c22-17-8-7-16-12-20-18-6-1-2-9-21(18,19(16)13-17)10-11-23(20)14-15-4-3-5-15/h7-8,13,15,18,20H,1-6,9-12,14,22H2/t18-,20+,21+/m0/s1
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 180n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386671
PNG
(CHEMBL2048775)
Show SMILES COc1ccccc1CN(C)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C30H40N2O/c1-31(21-24-10-3-4-12-29(24)33-2)25-14-13-23-18-28-26-11-5-6-15-30(26,27(23)19-25)16-17-32(28)20-22-8-7-9-22/h3-4,10,12-14,19,22,26,28H,5-9,11,15-18,20-21H2,1-2H3/t26-,28+,30+/m0/s1
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 190n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386688
PNG
(CHEMBL2048782)
Show SMILES COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |r,c:18|
Show InChI InChI=1S/C25H28N2O3/c1-27-12-11-25-17-8-10-20(28)24(25)30-23-18(9-7-15(22(23)25)13-19(17)27)26-14-16-5-3-4-6-21(16)29-2/h3-10,17,19-20,24,26,28H,11-14H2,1-2H3/t17-,19+,20-,24-,25-/m0/s1
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 220n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386675
PNG
(CHEMBL2048769)
Show SMILES Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H36N2O/c31-24-8-4-7-21(15-24)18-29-23-11-10-22-16-27-25-9-1-2-12-28(25,26(22)17-23)13-14-30(27)19-20-5-3-6-20/h4,7-8,10-11,15,17,20,25,27,29,31H,1-3,5-6,9,12-14,16,18-19H2/t25-,27+,28+/m0/s1
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 230n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386683
PNG
(CHEMBL2048762)
Show SMILES COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-25-12-8-21(9-13-25)19-30-24-11-10-23-17-28-26-7-2-3-14-29(26,27(23)18-24)15-16-31(28)20-22-5-4-6-22/h8-13,18,22,26,28,30H,2-7,14-17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 260n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386689
PNG
(Dihydrocodinone | HYDROCODONE)
Show SMILES COc1ccc2C[C@@H]3[C@@H]4CCC(=O)[C@@H]5Oc1c2[C@]45CCN3C |r|
Show InChI InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3/t11-,12+,17-,18-/m0/s1
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 260n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386669
PNG
(CHEMBL2048777)
Show SMILES COc1ccc(CN(C)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C30H40N2O/c1-31(20-23-9-13-26(33-2)14-10-23)25-12-11-24-18-29-27-8-3-4-15-30(27,28(24)19-25)16-17-32(29)21-22-6-5-7-22/h9-14,19,22,27,29H,3-8,15-18,20-21H2,1-2H3/t27-,29+,30+/m0/s1
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 290n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386670
PNG
(CHEMBL2048776)
Show SMILES COc1cccc(CN(C)c2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C30H40N2O/c1-31(20-23-9-6-10-26(17-23)33-2)25-13-12-24-18-29-27-11-3-4-14-30(27,28(24)19-25)15-16-32(29)21-22-7-5-8-22/h6,9-10,12-13,17,19,22,27,29H,3-5,7-8,11,14-16,18,20-21H2,1-2H3/t27-,29+,30+/m0/s1
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 350n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386686
PNG
(CHEMBL2048785)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5NCc1ccccc1O |r,c:16|
Show InChI InChI=1S/C24H26N2O3/c1-26-11-10-24-16-7-9-20(28)23(24)29-22-17(8-6-14(21(22)24)12-18(16)26)25-13-15-4-2-3-5-19(15)27/h2-9,16,18,20,23,25,27-28H,10-13H2,1H3/t16-,18+,20-,23-,24-/m0/s1
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 370n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386687
PNG
(CHEMBL2048783)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5C=C[C@H](O)[C@@H]6Oc2c3[C@]56CCN4C)c1 |r,c:16|
Show InChI InChI=1S/C25H28N2O3/c1-27-11-10-25-18-7-9-21(28)24(25)30-23-19(8-6-16(22(23)25)13-20(18)27)26-14-15-4-3-5-17(12-15)29-2/h3-9,12,18,20-21,24,26,28H,10-11,13-14H2,1-2H3/t18-,20+,21-,24-,25-/m0/s1
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 500n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386666
PNG
(CHEMBL2048780)
Show SMILES CN(Cc1ccc(O)cc1)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-30(19-22-8-12-25(32)13-9-22)24-11-10-23-17-28-26-7-2-3-14-29(26,27(23)18-24)15-16-31(28)20-21-5-4-6-21/h8-13,18,21,26,28,32H,2-7,14-17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 530n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386685
PNG
(CHEMBL2048787)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5NCc1ccc(O)cc1 |r,c:16|
Show InChI InChI=1S/C24H26N2O3/c1-26-11-10-24-17-7-9-20(28)23(24)29-22-18(8-4-15(21(22)24)12-19(17)26)25-13-14-2-5-16(27)6-3-14/h2-9,17,19-20,23,25,27-28H,10-13H2,1H3/t17-,19+,20-,23-,24-/m0/s1
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 560n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386672
PNG
(CHEMBL2048774)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NCc2cccc(O)c2)cc31 |r,TLB:0:1:9:26.12.11|
Show InChI InChI=1S/C24H30N2O/c1-26-12-11-24-10-3-2-7-21(24)23(26)14-18-8-9-19(15-22(18)24)25-16-17-5-4-6-20(27)13-17/h4-6,8-9,13,15,21,23,25,27H,2-3,7,10-12,14,16H2,1H3/t21-,23+,24+/m0/s1
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 720n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50386668
PNG
(CHEMBL2048778)
Show SMILES CN(Cc1ccc(Cl)cc1)c1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C29H37ClN2/c1-31(19-22-8-11-24(30)12-9-22)25-13-10-23-17-28-26-7-2-3-14-29(26,27(23)18-25)15-16-32(28)20-21-5-4-6-21/h8-13,18,21,26,28H,2-7,14-17,19-20H2,1H3/t26-,28+,29+/m0/s1
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 730n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386691
PNG
(CHEMBL2048786)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5NCc1cccc(O)c1 |r,c:16|
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-24-17-6-8-20(28)23(24)29-22-18(7-5-15(21(22)24)12-19(17)26)25-13-14-3-2-4-16(27)11-14/h2-8,11,17,19-20,23,25,27-28H,9-10,12-13H2,1H3/t17-,19+,20-,23-,24-/m0/s1
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 910n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50138010
PNG
(3-Amino-N-methylmorphinan | CHEMBL48420 | US107668...)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(N)cc31
Show InChI InChI=1S/C17H24N2/c1-19-9-8-17-7-3-2-4-14(17)16(19)10-12-5-6-13(18)11-15(12)17/h5-6,11,14,16H,2-4,7-10,18H2,1H3/t14-,16+,17+/m0/s1
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 1.50E+3n/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 after 3 hrs by scintillation counting

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386678
PNG
(CHEMBL2048766)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C28H34N2O2/c1-2-10-28-11-12-30(17-19-4-5-19)25(23(28)3-1)14-21-7-8-22(15-24(21)28)29-16-20-6-9-26-27(13-20)32-18-31-26/h6-9,13,15,19,23,25,29H,1-5,10-12,14,16-18H2/t23-,25+,28+/m0/s1
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n/an/a 0.210n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
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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n/an/a 1.70n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386679
PNG
(CHEMBL2048765)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H36N2O/c1-31-24-6-4-5-21(15-24)18-29-23-11-10-22-16-27-25-7-2-3-12-28(25,26(22)17-23)13-14-30(27)19-20-8-9-20/h4-6,10-11,15,17,20,25,27,29H,2-3,7-9,12-14,16,18-19H2,1H3/t25-,27+,28+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386664
PNG
(CHEMBL2048772)
Show SMILES Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-5-3-4-20(14-23)17-28-22-10-9-21-15-26-24-6-1-2-11-27(24,25(21)16-22)12-13-29(26)18-19-7-8-19/h3-5,9-10,14,16,19,24,26,28,30H,1-2,6-8,11-13,15,17-18H2/t24-,26+,27+/m0/s1
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n/an/a 3.5n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386675
PNG
(CHEMBL2048769)
Show SMILES Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H36N2O/c31-24-8-4-7-21(15-24)18-29-23-11-10-22-16-27-25-9-1-2-12-28(25,26(22)17-23)13-14-30(27)19-20-5-3-6-20/h4,7-8,10-11,15,17,20,25,27,29,31H,1-3,5-6,9,12-14,16,18-19H2/t25-,27+,28+/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386677
PNG
(CHEMBL2048767)
Show SMILES [O-][N+](=O)c1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H35N3O2/c32-31(33)24-8-4-7-21(15-24)18-29-23-11-10-22-16-27-25-9-1-2-12-28(25,26(22)17-23)13-14-30(27)19-20-5-3-6-20/h4,7-8,10-11,15,17,20,25,27,29H,1-3,5-6,9,12-14,16,18-19H2/t25-,27+,28+/m0/s1
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n/an/a 6.80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386673
PNG
(CHEMBL2048773)
Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-10-6-19(7-11-23)17-28-22-9-8-21-15-26-24-3-1-2-12-27(24,25(21)16-22)13-14-29(26)18-20-4-5-20/h6-11,16,20,24,26,28,30H,1-5,12-15,17-18H2/t24-,26+,27+/m0/s1
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n/an/a 7.60n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
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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n/an/a 10n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
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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n/an/a 20n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386665
PNG
(CHEMBL2048770)
Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C28H36N2O/c31-24-11-7-20(8-12-24)18-29-23-10-9-22-16-27-25-6-1-2-13-28(25,26(22)17-23)14-15-30(27)19-21-4-3-5-21/h7-12,17,21,25,27,29,31H,1-6,13-16,18-19H2/t25-,27+,28+/m0/s1
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n/an/a 75n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386663
PNG
(CHEMBL2048761)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-25-9-5-8-22(16-25)19-30-24-12-11-23-17-28-26-10-2-3-13-29(26,27(23)18-24)14-15-31(28)20-21-6-4-7-21/h5,8-9,11-12,16,18,21,26,28,30H,2-4,6-7,10,13-15,17,19-20H2,1H3/t26-,28+,29+/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386681
PNG
(CHEMBL2048764)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C29H36N2O2/c1-2-11-29-12-13-31(18-20-4-3-5-20)26(24(29)6-1)15-22-8-9-23(16-25(22)29)30-17-21-7-10-27-28(14-21)33-19-32-27/h7-10,14,16,20,24,26,30H,1-6,11-13,15,17-19H2/t24-,26+,29+/m0/s1
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n/an/a 94n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386683
PNG
(CHEMBL2048762)
Show SMILES COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-25-12-8-21(9-13-25)19-30-24-11-10-23-17-28-26-7-2-3-14-29(26,27(23)18-24)15-16-31(28)20-22-5-4-6-22/h8-13,18,22,26,28,30H,2-7,14-17,19-20H2,1H3/t26-,28+,29+/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386674
PNG
(CHEMBL2048771)
Show SMILES Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-26-7-2-1-5-21(26)17-28-22-11-10-20-15-25-23-6-3-4-12-27(23,24(20)16-22)13-14-29(25)18-19-8-9-19/h1-2,5,7,10-11,16,19,23,25,28,30H,3-4,6,8-9,12-15,17-18H2/t23-,25+,27+/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386676
PNG
(CHEMBL2048768)
Show SMILES Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C28H36N2O/c31-27-10-2-1-8-22(27)18-29-23-12-11-21-16-26-24-9-3-4-13-28(24,25(21)17-23)14-15-30(26)19-20-6-5-7-20/h1-2,8,10-12,17,20,24,26,29,31H,3-7,9,13-16,18-19H2/t24-,26+,28+/m0/s1
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n/an/a 810n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [33S]GTPgammaS binding after 60 mins b...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
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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n/an/an/an/a 1.60n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 55n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386683
PNG
(CHEMBL2048762)
Show SMILES COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-25-12-8-21(9-13-25)19-30-24-11-10-23-17-28-26-7-2-3-14-29(26,27(23)18-24)15-16-31(28)20-22-5-4-6-22/h8-13,18,22,26,28,30H,2-7,14-17,19-20H2,1H3/t26-,28+,29+/m0/s1
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n/an/an/an/a 50n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
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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n/an/an/an/a 1.30n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386672
PNG
(CHEMBL2048774)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NCc2cccc(O)c2)cc31 |r,TLB:0:1:9:26.12.11|
Show InChI InChI=1S/C24H30N2O/c1-26-12-11-24-10-3-2-7-21(24)23(26)14-18-8-9-19(15-22(18)24)25-16-17-5-4-6-20(27)13-17/h4-6,8-9,13,15,21,23,25,27H,2-3,7,10-12,14,16H2,1H3/t21-,23+,24+/m0/s1
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n/an/an/an/a 230n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386678
PNG
(CHEMBL2048766)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C28H34N2O2/c1-2-10-28-11-12-30(17-19-4-5-19)25(23(28)3-1)14-21-7-8-22(15-24(21)28)29-16-20-6-9-26-27(13-20)32-18-31-26/h6-9,13,15,19,23,25,29H,1-5,10-12,14,16-18H2/t23-,25+,28+/m0/s1
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n/an/an/an/a 0.0770n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386665
PNG
(CHEMBL2048770)
Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C28H36N2O/c31-24-11-7-20(8-12-24)18-29-23-10-9-22-16-27-25-6-1-2-13-28(25,26(22)17-23)14-15-30(27)19-21-4-3-5-21/h7-12,17,21,25,27,29,31H,1-6,13-16,18-19H2/t25-,27+,28+/m0/s1
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n/an/an/an/a 38n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386683
PNG
(CHEMBL2048762)
Show SMILES COc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-25-12-8-21(9-13-25)19-30-24-11-10-23-17-28-26-7-2-3-14-29(26,27(23)18-24)15-16-31(28)20-22-5-4-6-22/h8-13,18,22,26,28,30H,2-7,14-17,19-20H2,1H3/t26-,28+,29+/m0/s1
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n/an/an/an/a 7.80n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386690
PNG
(CHEMBL2048781)
Show SMILES Oc1cccc(CNc2ccc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)c2)c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-5-3-4-20(14-23)17-28-22-9-10-24-21(15-22)16-26-25-6-1-2-11-27(24,25)12-13-29(26)18-19-7-8-19/h3-5,9-10,14-15,19,25-26,28,30H,1-2,6-8,11-13,16-18H2/t25-,26+,27-/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386674
PNG
(CHEMBL2048771)
Show SMILES Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-26-7-2-1-5-21(26)17-28-22-11-10-20-15-25-23-6-3-4-12-27(23,24(20)16-22)13-14-29(25)18-19-8-9-19/h1-2,5,7,10-11,16,19,23,25,28,30H,3-4,6,8-9,12-15,17-18H2/t23-,25+,27+/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386681
PNG
(CHEMBL2048764)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C29H36N2O2/c1-2-11-29-12-13-31(18-20-4-3-5-20)26(24(29)6-1)15-22-8-9-23(16-25(22)29)30-17-21-7-10-27-28(14-21)33-19-32-27/h7-10,14,16,20,24,26,30H,1-6,11-13,15,17-19H2/t24-,26+,29+/m0/s1
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n/an/an/an/a 3.60n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386676
PNG
(CHEMBL2048768)
Show SMILES Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C28H36N2O/c31-27-10-2-1-8-22(27)18-29-23-12-11-21-16-26-24-9-3-4-13-28(24,25(21)17-23)14-15-30(26)19-20-6-5-7-20/h1-2,8,10-12,17,20,24,26,29,31H,3-7,9,13-16,18-19H2/t24-,26+,28+/m0/s1
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n/an/an/an/a 38n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386679
PNG
(CHEMBL2048765)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H36N2O/c1-31-24-6-4-5-21(15-24)18-29-23-11-10-22-16-27-25-7-2-3-12-28(25,26(22)17-23)13-14-30(27)19-20-8-9-20/h4-6,10-11,15,17,20,25,27,29H,2-3,7-9,12-14,16,18-19H2,1H3/t25-,27+,28+/m0/s1
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n/an/an/an/a 0.430n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386664
PNG
(CHEMBL2048772)
Show SMILES Oc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-5-3-4-20(14-23)17-28-22-10-9-21-15-26-24-6-1-2-11-27(24,25(21)16-22)12-13-29(26)18-19-7-8-19/h3-5,9-10,14,16,19,24,26,28,30H,1-2,6-8,11-13,15,17-18H2/t24-,26+,27+/m0/s1
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n/an/an/an/a 3.90n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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n/an/an/an/a 4.20n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386663
PNG
(CHEMBL2048761)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-25-9-5-8-22(16-25)19-30-24-12-11-23-17-28-26-10-2-3-13-29(26,27(23)18-24)14-15-31(28)20-21-6-4-7-21/h5,8-9,11-12,16,18,21,26,28,30H,2-4,6-7,10,13-15,17,19-20H2,1H3/t26-,28+,29+/m0/s1
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n/an/an/an/a 39n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386676
PNG
(CHEMBL2048768)
Show SMILES Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1 |r|
Show InChI InChI=1S/C28H36N2O/c31-27-10-2-1-8-22(27)18-29-23-12-11-21-16-26-24-9-3-4-13-28(24,25(21)17-23)14-15-30(26)19-20-6-5-7-20/h1-2,8,10-12,17,20,24,26,29,31H,3-7,9,13-16,18-19H2/t24-,26+,28+/m0/s1
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n/an/an/an/a 47n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386688
PNG
(CHEMBL2048782)
Show SMILES COc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C |r,c:18|
Show InChI InChI=1S/C25H28N2O3/c1-27-12-11-25-17-8-10-20(28)24(25)30-23-18(9-7-15(22(23)25)13-19(17)27)26-14-16-5-3-4-6-21(16)29-2/h3-10,17,19-20,24,26,28H,11-14H2,1-2H3/t17-,19+,20-,24-,25-/m0/s1
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n/an/an/an/a 210n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
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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n/an/an/an/a 0.190n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386674
PNG
(CHEMBL2048771)
Show SMILES Oc1ccccc1CNc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CC3)c2c1 |r|
Show InChI InChI=1S/C27H34N2O/c30-26-7-2-1-5-21(26)17-28-22-11-10-20-15-25-23-6-3-4-12-27(23,24(20)16-22)13-14-29(25)18-19-8-9-19/h1-2,5,7,10-11,16,19,23,25,28,30H,3-4,6,8-9,12-15,17-18H2/t23-,25+,27+/m0/s1
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n/an/an/an/a 8.80n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
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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n/an/an/an/a 6.80n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386677
PNG
(CHEMBL2048767)
Show SMILES [O-][N+](=O)c1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H35N3O2/c32-31(33)24-8-4-7-21(15-24)18-29-23-11-10-22-16-27-25-9-1-2-12-28(25,26(22)17-23)13-14-30(27)19-20-5-3-6-20/h4,7-8,10-11,15,17,20,25,27,29H,1-3,5-6,9,12-14,16,18-19H2/t25-,27+,28+/m0/s1
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n/an/an/an/a 0.790n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386673
PNG
(CHEMBL2048773)
Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CC4)c3c2)cc1 |r|
Show InChI InChI=1S/C27H34N2O/c30-23-10-6-19(7-11-23)17-28-22-9-8-21-15-26-24-3-1-2-12-27(24,25(21)16-22)13-14-29(26)18-20-4-5-20/h6-11,16,20,24,26,28,30H,1-5,12-15,17-18H2/t24-,26+,27+/m0/s1
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n/an/an/an/a 1.80n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
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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n/an/an/an/a 0.800n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386663
PNG
(CHEMBL2048761)
Show SMILES COc1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C29H38N2O/c1-32-25-9-5-8-22(16-25)19-30-24-12-11-23-17-28-26-10-2-3-13-29(26,27(23)18-24)14-15-31(28)20-21-6-4-7-21/h5,8-9,11-12,16,18,21,26,28,30H,2-4,6-7,10,13-15,17,19-20H2,1H3/t26-,28+,29+/m0/s1
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n/an/an/an/a 3.80n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386677
PNG
(CHEMBL2048767)
Show SMILES [O-][N+](=O)c1cccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)c1 |r|
Show InChI InChI=1S/C28H35N3O2/c32-31(33)24-8-4-7-21(15-24)18-29-23-11-10-22-16-27-25-9-1-2-12-28(25,26(22)17-23)13-14-30(27)19-20-5-3-6-20/h4,7-8,10-11,15,17,20,25,27,29H,1-3,5-6,9,12-14,16,18-19H2/t25-,27+,28+/m0/s1
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n/an/an/an/a 1.10n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386665
PNG
(CHEMBL2048770)
Show SMILES Oc1ccc(CNc2ccc3C[C@@H]4[C@@H]5CCCC[C@]5(CCN4CC4CCC4)c3c2)cc1 |r|
Show InChI InChI=1S/C28H36N2O/c31-24-11-7-20(8-12-24)18-29-23-10-9-22-16-27-25-6-1-2-13-28(25,26(22)17-23)14-15-30(27)19-21-4-3-5-21/h7-12,17,21,25,27,29,31H,1-6,13-16,18-19H2/t25-,27+,28+/m0/s1
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n/an/an/an/a 3.60n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386672
PNG
(CHEMBL2048774)
Show SMILES CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NCc2cccc(O)c2)cc31 |r,TLB:0:1:9:26.12.11|
Show InChI InChI=1S/C24H30N2O/c1-26-12-11-24-10-3-2-7-21(24)23(26)14-18-8-9-19(15-22(18)24)25-16-17-5-4-6-20(27)13-17/h4-6,8-9,13,15,21,23,25,27H,2-3,7,10-12,14,16H2,1H3/t21-,23+,24+/m0/s1
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n/an/an/an/a 6.5n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))		BDBM50386691
PNG
(CHEMBL2048786)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5NCc1cccc(O)c1 |r,c:16|
Show InChI InChI=1S/C24H26N2O3/c1-26-10-9-24-17-6-8-20(28)23(24)29-22-18(7-5-15(21(22)24)12-19(17)26)25-13-14-3-2-4-16(27)11-14/h2-8,11,17,19-20,23,25,27-28H,9-10,12-13H2,1H3/t17-,19+,20-,23-,24-/m0/s1
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n/an/an/an/a 550n/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 stimulation of [33S]GTPgammaS binding after 60 mins by scintillation ...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM50386681
PNG
(CHEMBL2048764)
Show SMILES C(Nc1ccc2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3CC3CCC3)c2c1)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C29H36N2O2/c1-2-11-29-12-13-31(18-20-4-3-5-20)26(24(29)6-1)15-22-8-9-23(16-25(22)29)30-17-21-7-10-27-28(14-21)33-19-32-27/h7-10,14,16,20,24,26,30H,1-6,11-13,15,17-19H2/t24-,26+,29+/m0/s1
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n/an/an/an/a 27n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
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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n/an/an/an/a 5.30n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as stimulation of [33S]GTPgammaS binding after 60 mins by scintillati...

J Med Chem 55: 3878-90 (2012)


Article DOI: 10.1021/jm3001086
BindingDB Entry DOI: 10.7270/Q28053P6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%