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Compile Data Set for Download or QSAR

Found 146 hits Enz. Inhib. hit(s) with all data for entry = 50037783   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(GUINEA PIG)
BDBM50195673
PNG
(CHEMBL267027 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-4,6-9,18,23,27,33H,1-2,5,10-16H2,(H,31,35)/t23-,27+,28+,29-/m1/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50195666
PNG
(CHEMBL443311 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h5-10,19,24,27,31,33H,1-4,11-17H2/t24-,27+,28+,29-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50195659
PNG
(CHEMBL217395 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-5,7-10,19,24,28H,2-3,6,11-17H2,1H3,(H,32,35)/t24-,28+,29+,30-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195678
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h1-2,5-10,19,24,27,31,33H,3-4,11-17H2/b2-1+/t24-,27+,28+,29-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human mu opioid receptor expressed in C6 cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50195660
PNG
(CHEMBL384497 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H35ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h6-11,20,25,28,32H,2-5,12-18H2,1H3/t25-,28+,29+,30-/m1/s1
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0.590n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195673
PNG
(CHEMBL267027 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-4,6-9,18,23,27,33H,1-2,5,10-16H2,(H,31,35)/t23-,27+,28+,29-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from delta receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195678
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h1-2,5-10,19,24,27,31,33H,3-4,11-17H2/b2-1+/t24-,27+,28+,29-/m1/s1
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0.630n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human recombinant delta opioid receptor expressed in C6 cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50195673
PNG
(CHEMBL267027 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-4,6-9,18,23,27,33H,1-2,5,10-16H2,(H,31,35)/t23-,27+,28+,29-/m1/s1
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0.650n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50195677
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c1-35-24-11-8-21-17-25-30(32-15-2-3-19-6-9-22(31)10-7-19)13-12-23(34)28-29(30,26(21)27(24)36-28)14-16-33(25)18-20-4-5-20/h2-3,6-11,20,25,28,32H,4-5,12-18H2,1H3/b3-2+/t25-,28+,29+,30-/m1/s1
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0.700n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195665
PNG
(CHEMBL448428 | N-cyclopropylmethyl-14beta-[2'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H29ClN2O4/c29-19-6-3-16(4-7-19)13-23(34)30-28-10-9-21(33)26-27(28)11-12-31(15-17-1-2-17)22(28)14-18-5-8-20(32)25(35-26)24(18)27/h3-8,17,22,26,32H,1-2,9-15H2,(H,30,34)/t22-,26+,27+,28-/m1/s1
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0.730n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195663
PNG
(CHEMBL217658 | N-cyclopropylmethyl-14beta-[2'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C28H31ClN2O3/c29-20-6-3-17(4-7-20)10-13-30-28-11-9-22(33)26-27(28)12-14-31(16-18-1-2-18)23(28)15-19-5-8-21(32)25(34-26)24(19)27/h3-8,18,23,26,30,32H,1-2,9-16H2/t23-,26+,27+,28-/m1/s1
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0.860n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195678
PNG
((1R,5R,13R,17S)-17-{[(2E)-3-(4-chlorophenyl)prop-2...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h1-2,5-10,19,24,27,31,33H,3-4,11-17H2/b2-1+/t24-,27+,28+,29-/m1/s1
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0.910n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human recombinant kappa opioid receptor expressed in C6 cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195675
PNG
(CHEMBL217102 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H35ClN2O3/c31-22-9-6-19(7-10-22)3-1-2-15-32-30-13-12-24(35)28-29(30)14-16-33(18-20-4-5-20)25(30)17-21-8-11-23(34)27(36-28)26(21)29/h6-11,20,25,28,32,34H,1-5,12-18H2/t25-,28+,29+,30-/m1/s1
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0.960n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195665
PNG
(CHEMBL448428 | N-cyclopropylmethyl-14beta-[2'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H29ClN2O4/c29-19-6-3-16(4-7-19)13-23(34)30-28-10-9-21(33)26-27(28)11-12-31(15-17-1-2-17)22(28)14-18-5-8-20(32)25(35-26)24(18)27/h3-8,17,22,26,32H,1-2,9-15H2,(H,30,34)/t22-,26+,27+,28-/m1/s1
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1n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195655
PNG
(CHEMBL383896 | N-cyclopropylmethyl-14beta-[4'(4''-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c31-22-9-6-19(7-10-22)3-1-2-15-32-30-13-12-24(35)28-29(30)14-16-33(18-20-4-5-20)25(30)17-21-8-11-23(34)27(36-28)26(21)29/h1,3,6-11,20,25,28,32,34H,2,4-5,12-18H2/b3-1+/t25-,28+,29+,30-/m1/s1
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1n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195666
PNG
(CHEMBL443311 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h5-10,19,24,27,31,33H,1-4,11-17H2/t24-,27+,28+,29-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from delta receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195669
PNG
(CHEMBL411089 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C31H35ClN2O3/c1-36-25-12-9-22-18-26-31(33-16-3-2-4-20-7-10-23(32)11-8-20)14-13-24(35)29-30(31,27(22)28(25)37-29)15-17-34(26)19-21-5-6-21/h2,4,7-12,21,26,29,33H,3,5-6,13-19H2,1H3/b4-2+/t26-,29+,30+,31-/m1/s1
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1.20n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195658
PNG
(CHEMBL387101 | N-cyclopropylmethyl-14beta-[2'-(4''...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O3/c1-34-23-9-6-20-16-24-29(31-14-11-18-4-7-21(30)8-5-18)12-10-22(33)27-28(29,25(20)26(23)35-27)13-15-32(24)17-19-2-3-19/h4-9,19,24,27,31H,2-3,10-17H2,1H3/t24-,27+,28+,29-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195676
PNG
(CHEMBL217479 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O4/c31-21-9-6-18(7-10-21)2-1-3-25(36)32-30-13-12-23(35)28-29(30)14-15-33(17-19-4-5-19)24(30)16-20-8-11-22(34)27(37-28)26(20)29/h6-11,19,24,28,34H,1-5,12-17H2,(H,32,36)/t24-,28+,29+,30-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195663
PNG
(CHEMBL217658 | N-cyclopropylmethyl-14beta-[2'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C28H31ClN2O3/c29-20-6-3-17(4-7-20)10-13-30-28-11-9-22(33)26-27(28)12-14-31(16-18-1-2-18)23(28)15-19-5-8-21(32)25(34-26)24(19)27/h3-8,18,23,26,30,32H,1-2,9-16H2/t23-,26+,27+,28-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195665
PNG
(CHEMBL448428 | N-cyclopropylmethyl-14beta-[2'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C28H29ClN2O4/c29-19-6-3-16(4-7-19)13-23(34)30-28-10-9-21(33)26-27(28)11-12-31(15-17-1-2-17)22(28)14-18-5-8-20(32)25(35-26)24(18)27/h3-8,17,22,26,32H,1-2,9-15H2,(H,30,34)/t22-,26+,27+,28-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195670
PNG
(CHEMBL216558 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\Cc1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c31-22-9-6-19(7-10-22)3-1-2-15-32-30-13-12-24(35)28-29(30)14-16-33(18-20-4-5-20)25(30)17-21-8-11-23(34)27(36-28)26(21)29/h1-2,6-11,20,25,28,32,34H,3-5,12-18H2/b2-1+/t25-,28+,29+,30-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195671
PNG
(CHEMBL217710 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C30H31ClN2O4/c31-21-9-6-18(7-10-21)2-1-3-25(36)32-30-13-12-23(35)28-29(30)14-15-33(17-19-4-5-19)24(30)16-20-8-11-22(34)27(37-28)26(20)29/h1-2,6-11,19,24,28,34H,3-5,12-17H2,(H,32,36)/b2-1+/t24-,28+,29+,30-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50195666
PNG
(CHEMBL443311 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCc1ccc(Cl)cc1
Show InChI InChI=1S/C29H33ClN2O3/c30-21-8-5-18(6-9-21)2-1-14-31-29-12-11-23(34)27-28(29)13-15-32(17-19-3-4-19)24(29)16-20-7-10-22(33)26(35-27)25(20)28/h5-10,19,24,27,31,33H,1-4,11-17H2/t24-,27+,28+,29-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195663
PNG
(CHEMBL217658 | N-cyclopropylmethyl-14beta-[2'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C28H31ClN2O3/c29-20-6-3-17(4-7-20)10-13-30-28-11-9-22(33)26-27(28)12-14-31(16-18-1-2-18)23(28)15-19-5-8-21(32)25(34-26)24(19)27/h3-8,18,23,26,30,32H,1-2,9-16H2/t23-,26+,27+,28-/m1/s1
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1.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195655
PNG
(CHEMBL383896 | N-cyclopropylmethyl-14beta-[4'(4''-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c31-22-9-6-19(7-10-22)3-1-2-15-32-30-13-12-24(35)28-29(30)14-16-33(18-20-4-5-20)25(30)17-21-8-11-23(34)27(36-28)26(21)29/h1,3,6-11,20,25,28,32,34H,2,4-5,12-18H2/b3-1+/t25-,28+,29+,30-/m1/s1
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2.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195675
PNG
(CHEMBL217102 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H35ClN2O3/c31-22-9-6-19(7-10-22)3-1-2-15-32-30-13-12-24(35)28-29(30)14-16-33(18-20-4-5-20)25(30)17-21-8-11-23(34)27(36-28)26(21)29/h6-11,20,25,28,32,34H,1-5,12-18H2/t25-,28+,29+,30-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195657
PNG
(CHEMBL215926 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCCc1ccc(Cl)cc1
Show InChI InChI=1S/C31H37ClN2O3/c1-36-25-12-9-22-18-26-31(33-16-3-2-4-20-7-10-23(32)11-8-20)14-13-24(35)29-30(31,27(22)28(25)37-29)15-17-34(26)19-21-5-6-21/h7-12,21,26,29,33H,2-6,13-19H2,1H3/t26-,29+,30+,31-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195672
PNG
(CHEMBL277530 | N-cyclopropylmethyl-14beta-[2'-(4''...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O4/c1-35-22-9-6-19-15-23-29(31-24(34)14-17-4-7-20(30)8-5-17)11-10-21(33)27-28(29,25(19)26(22)36-27)12-13-32(23)16-18-2-3-18/h4-9,18,23,27H,2-3,10-16H2,1H3,(H,31,34)/t23-,27+,28+,29-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195672
PNG
(CHEMBL277530 | N-cyclopropylmethyl-14beta-[2'-(4''...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C29H31ClN2O4/c1-35-22-9-6-19-15-23-29(31-24(34)14-17-4-7-20(30)8-5-17)11-10-21(33)27-28(29,25(19)26(22)36-27)12-13-32(23)16-18-2-3-18/h4-9,18,23,27H,2-3,10-16H2,1H3,(H,31,34)/t23-,27+,28+,29-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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2.70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195676
PNG
(CHEMBL217479 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O4/c31-21-9-6-18(7-10-21)2-1-3-25(36)32-30-13-12-23(35)28-29(30)14-15-33(17-19-4-5-19)24(30)16-20-8-11-22(34)27(37-28)26(20)29/h6-11,19,24,28,34H,1-5,12-17H2,(H,32,36)/t24-,28+,29+,30-/m1/s1
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3n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195656
PNG
(14beta-4'-Chlorocinnamoylaminodihydronormorphinone...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O4/c30-20-7-3-17(4-8-20)5-10-24(35)31-29-12-11-22(34)27-28(29)13-14-32(16-18-1-2-18)23(29)15-19-6-9-21(33)26(36-27)25(19)28/h3-10,18,23,27,33H,1-2,11-16H2,(H,31,35)/b10-5+/t23-,27+,28+,29-/m1/s1
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3n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195671
PNG
(CHEMBL217710 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C30H31ClN2O4/c31-21-9-6-18(7-10-21)2-1-3-25(36)32-30-13-12-23(35)28-29(30)14-15-33(17-19-4-5-19)24(30)16-20-8-11-22(34)27(37-28)26(20)29/h1-2,6-11,19,24,28,34H,3-5,12-17H2,(H,32,36)/b2-1+/t24-,28+,29+,30-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195670
PNG
(CHEMBL216558 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC\C=C\Cc1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c31-22-9-6-19(7-10-22)3-1-2-15-32-30-13-12-24(35)28-29(30)14-16-33(18-20-4-5-20)25(30)17-21-8-11-23(34)27(36-28)26(21)29/h1-2,6-11,20,25,28,32,34H,3-5,12-18H2/b2-1+/t25-,28+,29+,30-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195655
PNG
(CHEMBL383896 | N-cyclopropylmethyl-14beta-[4'(4''-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O3/c31-22-9-6-19(7-10-22)3-1-2-15-32-30-13-12-24(35)28-29(30)14-16-33(18-20-4-5-20)25(30)17-21-8-11-23(34)27(36-28)26(21)29/h1,3,6-11,20,25,28,32,34H,2,4-5,12-18H2/b3-1+/t25-,28+,29+,30-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195676
PNG
(CHEMBL217479 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O4/c31-21-9-6-18(7-10-21)2-1-3-25(36)32-30-13-12-23(35)28-29(30)14-15-33(17-19-4-5-19)24(30)16-20-8-11-22(34)27(37-28)26(20)29/h6-11,19,24,28,34H,1-5,12-17H2,(H,32,36)/t24-,28+,29+,30-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195667
PNG
(CHEMBL263482 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCCc1ccc(Cl)cc1
Show InChI InChI=1S/C31H35ClN2O4/c1-37-24-12-9-21-17-25-31(33-26(36)4-2-3-19-7-10-22(32)11-8-19)14-13-23(35)29-30(31,27(21)28(24)38-29)15-16-34(25)18-20-5-6-20/h7-12,20,25,29H,2-6,13-18H2,1H3,(H,33,36)/t25-,29+,30+,31-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195674
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6+/t24-,28+,29+,30-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50195674
PNG
(1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(17S)-12...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6+/t24-,28+,29+,30-/m1/s1
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4.80n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


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


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195671
PNG
(CHEMBL217710 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C\C=C\c1ccc(Cl)cc1
Show InChI InChI=1S/C30H31ClN2O4/c31-21-9-6-18(7-10-21)2-1-3-25(36)32-30-13-12-23(35)28-29(30)14-15-33(17-19-4-5-19)24(30)16-20-8-11-22(34)27(37-28)26(20)29/h1-2,6-11,19,24,28,34H,3-5,12-17H2,(H,32,36)/b2-1+/t24-,28+,29+,30-/m1/s1
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4.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50195659
PNG
(CHEMBL217395 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-5,7-10,19,24,28H,2-3,6,11-17H2,1H3,(H,32,35)/t24-,28+,29+,30-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from delta receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50195675
PNG
(CHEMBL217102 | N-cyclopropylmethyl-14beta-[4'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCCCCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H35ClN2O3/c31-22-9-6-19(7-10-22)3-1-2-15-32-30-13-12-24(35)28-29(30)14-16-33(18-20-4-5-20)25(30)17-21-8-11-23(34)27(36-28)26(21)29/h6-11,20,25,28,32,34H,1-5,12-18H2/t25-,28+,29+,30-/m1/s1
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5.30n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM60212
PNG
((4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-bis(o...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19+,20-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from delta receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50195659
PNG
(CHEMBL217395 | N-cyclopropylmethyl-14beta-[3'-(4'-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CCc1ccc(Cl)cc1
Show InChI InChI=1S/C30H33ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-5,7-10,19,24,28H,2-3,6,11-17H2,1H3,(H,32,35)/t24-,28+,29+,30-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain homogenate


J Med Chem 49: 6104-10 (2006)


Article DOI: 10.1021/jm060595u
BindingDB Entry DOI: 10.7270/Q24X58MF
More data for this
Ligand-Target Pair
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