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Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'broadbear' and Initial = 'jh'   
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)
BDBM50398951
PNG
(CHEMBL2179258)
Show SMILES COC(=O)\C=C\C(=O)O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C25H27NO7/c1-31-19(29)6-7-20(30)33-25-9-8-17(28)23-24(25)10-11-26(13-14-2-3-14)18(25)12-15-4-5-16(27)22(32-23)21(15)24/h4-7,14,18,23,27H,2-3,8-13H2,1H3/b7-6+/t18-,23+,24+,25-/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 MOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
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 Bath

Curated by ChEMBL


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


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50398952
PNG
(CHEMBL2179264)
Show SMILES COC(=O)\C=C\C(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C25H28N2O6/c1-32-20(31)7-6-19(30)26-25-9-8-17(29)23-24(25)10-11-27(13-14-2-3-14)18(25)12-15-4-5-16(28)22(33-23)21(15)24/h4-7,14,18,23,28H,2-3,8-13H2,1H3,(H,26,30)/b7-6+/t18-,23+,24+,25-/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 MOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
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]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50249017
PNG
(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-22-11-10-21-17-24-29(33-16-4-7-19-5-2-1-3-6-19)13-12-23(32)27-28(29,25(21)26(22)34-27)14-15-30(24)18-20-8-9-20/h1-3,5-6,10-11,20,24,27,31H,4,7-9,12-18H2/t24-,27+,28+,29-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50248968
PNG
(14beta-Cinnamoyloxy-N-cyclopropylmethyl-7,8-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H29NO5/c31-21-10-9-20-16-23-29(35-24(33)11-8-18-4-2-1-3-5-18)13-12-22(32)27-28(29,25(20)26(21)34-27)14-15-30(23)17-19-6-7-19/h1-5,8-11,19,23,27,31H,6-7,12-17H2/b11-8+/t23-,27+,28+,29-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
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 Bath

Curated by ChEMBL


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


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/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 MOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
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 Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50249017
PNG
(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-22-11-10-21-17-24-29(33-16-4-7-19-5-2-1-3-6-19)13-12-23(32)27-28(29,25(21)26(22)34-27)14-15-30(24)18-20-8-9-20/h1-3,5-6,10-11,20,24,27,31H,4,7-9,12-18H2/t24-,27+,28+,29-/m1/s1
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0.410n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50249017
PNG
(14-O-phenylpropylnaltrexone | 4-cyclopropylmethyl-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |r|
Show InChI InChI=1S/C29H33NO4/c31-22-11-10-21-17-24-29(33-16-4-7-19-5-2-1-3-6-19)13-12-23(32)27-28(29,25(21)26(22)34-27)14-15-30(24)18-20-8-9-20/h1-3,5-6,10-11,20,24,27,31H,4,7-9,12-18H2/t24-,27+,28+,29-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50398950
PNG
(CHEMBL2179259)
Show SMILES COC(=O)CCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(31)7-6-19(30)26-25-9-8-17(29)23-24(25)10-11-27(13-14-2-3-14)18(25)12-15-4-5-16(28)22(33-23)21(15)24/h4-5,14,18,23,28H,2-3,6-13H2,1H3,(H,26,30)/t18-,23+,24+,25-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from KOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50398952
PNG
(CHEMBL2179264)
Show SMILES COC(=O)\C=C\C(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C25H28N2O6/c1-32-20(31)7-6-19(30)26-25-9-8-17(29)23-24(25)10-11-27(13-14-2-3-14)18(25)12-15-4-5-16(28)22(33-23)21(15)24/h4-7,14,18,23,28H,2-3,8-13H2,1H3,(H,26,30)/b7-6+/t18-,23+,24+,25-/m1/s1
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0.5n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from KOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
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 Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in Hartely guinea pig brain membrane


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
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]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50398946
PNG
(CHEMBL2179263)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)\C=C\c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:30.29:3.4|
Show InChI InChI=1S/C33H38N2O4/c1-38-33-14-13-31(18-24(33)19-34-27(37)12-9-21-5-3-2-4-6-21)26-17-23-10-11-25(36)29-28(23)32(31,30(33)39-29)15-16-35(26)20-22-7-8-22/h2-6,9-12,22,24,26,30,36H,7-8,13-20H2,1H3,(H,34,37)/b12-9+/t24-,26-,30-,31-,32+,33-/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 MOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50398950
PNG
(CHEMBL2179259)
Show SMILES COC(=O)CCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(31)7-6-19(30)26-25-9-8-17(29)23-24(25)10-11-27(13-14-2-3-14)18(25)12-15-4-5-16(28)22(33-23)21(15)24/h4-5,14,18,23,28H,2-3,6-13H2,1H3,(H,26,30)/t18-,23+,24+,25-/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 MOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
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 human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50398951
PNG
(CHEMBL2179258)
Show SMILES COC(=O)\C=C\C(=O)O[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C25H27NO7/c1-31-19(29)6-7-20(30)33-25-9-8-17(28)23-24(25)10-11-26(13-14-2-3-14)18(25)12-15-4-5-16(27)22(32-23)21(15)24/h4-7,14,18,23,27H,2-3,8-13H2,1H3/b7-6+/t18-,23+,24+,25-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from KOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50398947
PNG
(CHEMBL2179262)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1NC(=O)\C=C\c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:3.4|
Show InChI InChI=1S/C32H36N2O4/c1-37-32-14-13-30(18-24(32)33-26(36)12-9-20-5-3-2-4-6-20)25-17-22-10-11-23(35)28-27(22)31(30,29(32)38-28)15-16-34(25)19-21-7-8-21/h2-6,9-12,21,24-25,29,35H,7-8,13-19H2,1H3,(H,33,36)/b12-9+/t24-,25+,29+,30+,31-,32+/m0/s1
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0.900n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50398948
PNG
(CHEMBL2179261)
Show SMILES COC(=O)\C=C\C(=O)NC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,THB:9:10:32.18:14.13|
Show InChI InChI=1S/C29H36N2O6/c1-35-23(34)8-7-22(33)30-15-19-14-27-9-10-29(19,36-2)26-28(27)11-12-31(16-17-3-4-17)21(27)13-18-5-6-20(32)25(37-26)24(18)28/h5-8,17,19,21,26,32H,3-4,9-16H2,1-2H3,(H,30,33)/b8-7+/t19-,21-,26-,27-,28+,29-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50247803
PNG
(Beta-Funeltrexamine | CHEMBL473136 | beta-funaltre...)
Show SMILES COC(=O)\C=C\C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from KOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
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]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299727
PNG
(CHEMBL574175 | N-Cyclopropylmethyl-14beta-[3'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O3/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,3-4,11-17H2/t24-,27+,28+,29-/m1/s1
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0.970n/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 by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299728
PNG
(CHEMBL575682 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C29H28N2O4/c32-21-10-9-20-16-23-29(30-24(34)11-8-18-4-2-1-3-5-18)13-12-22(33)27-28(29,25(20)26(21)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,23,27,32H,6-7,12-17H2,(H,30,34)/t23-,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]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50398947
PNG
(CHEMBL2179262)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1NC(=O)\C=C\c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:29.28:3.4|
Show InChI InChI=1S/C32H36N2O4/c1-37-32-14-13-30(18-24(32)33-26(36)12-9-20-5-3-2-4-6-20)25-17-22-10-11-23(35)28-27(22)31(30,29(32)38-28)15-16-34(25)19-21-7-8-21/h2-6,9-12,21,24-25,29,35H,7-8,13-19H2,1H3,(H,33,36)/b12-9+/t24-,25+,29+,30+,31-,32+/m0/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]U69593 from KOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50248969
PNG
(14beta-(4-Chlorocinnamoyloxy)-N-cyclopropylmethyl-...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H28ClNO5/c30-20-7-3-17(4-8-20)5-10-24(34)36-29-12-11-22(33)27-28(29)13-14-31(16-18-1-2-18)23(29)15-19-6-9-21(32)26(35-27)25(19)28/h3-10,18,23,27,32H,1-2,11-16H2/b10-5+/t23-,27+,28+,29-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299728
PNG
(CHEMBL575682 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C29H28N2O4/c32-21-10-9-20-16-23-29(30-24(34)11-8-18-4-2-1-3-5-18)13-12-22(33)27-28(29,25(20)26(21)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,23,27,32H,6-7,12-17H2,(H,30,34)/t23-,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 by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,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 MOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
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 Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
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]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50299729
PNG
(CHEMBL575451 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C30H30N2O4/c1-35-23-11-10-21-17-24-30(31-25(34)12-9-19-5-3-2-4-6-19)14-13-22(33)28-29(30,26(21)27(23)36-28)15-16-32(24)18-20-7-8-20/h2-6,10-11,20,24,28H,7-8,13-18H2,1H3,(H,31,34)/t24-,28+,29+,30-/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]DAMGO from human recombinant mu opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50354578
PNG
(BUPRENORPHINE | US9315514, Buprenorphine)
Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r|
Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/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]U69593 from KOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50299728
PNG
(CHEMBL575682 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C29H28N2O4/c32-21-10-9-20-16-23-29(30-24(34)11-8-18-4-2-1-3-5-18)13-12-22(33)27-28(29,25(20)26(21)35-27)14-15-31(23)17-19-6-7-19/h1-5,9-10,19,23,27,32H,6-7,12-17H2,(H,30,34)/t23-,27+,28+,29-/m1/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50066532
PNG
(1N-[4-cyclopropylmethyl-14-oxo-10-(2-propynyloxy)-...)
Show SMILES Clc1ccc(\C=C\C(=O)N[C@]23CCC(=O)[C@@H]4Oc5c6c(CC2N(CC2CC2)CC[C@@]346)ccc5OCC#C)cc1 |THB:17:18:10:22.28.27,30:19:10:22.28.27|
Show InChI InChI=1S/C32H31ClN2O4/c1-2-17-38-25-11-8-22-18-26-32(34-27(37)12-7-20-5-9-23(33)10-6-20)14-13-24(36)30-31(32,28(22)29(25)39-30)15-16-35(26)19-21-3-4-21/h1,5-12,21,26,30H,3-4,13-19H2,(H,34,37)/b12-7+/t26?,30-,31-,32+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
In vitro binding affinity against Opioid receptor mu 1 (DAMGO) opioid receptor in rat brain homogenates.


J Med Chem 41: 3493-8 (1998)


Article DOI: 10.1021/jm9810248
BindingDB Entry DOI: 10.7270/Q2FQ9X9H
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50398949
PNG
(CHEMBL2179260)
Show SMILES COC(=O)\C=C\C(=O)N[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,THB:8:9:31.17:13.12|
Show InChI InChI=1S/C28H34N2O6/c1-34-22(33)8-7-21(32)29-19-14-26-9-10-28(19,35-2)25-27(26)11-12-30(15-16-3-4-16)20(26)13-17-5-6-18(31)24(36-25)23(17)27/h5-8,16,19-20,25,31H,3-4,9-15H2,1-2H3,(H,29,32)/b8-7+/t19-,20+,25+,26+,27-,28+/m0/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]U69593 from KOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50248991
PNG
(CHEMBL474755 | N-Cyclopropylmethyl-14beta-cinnamoy...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C30H31NO5/c1-34-23-11-10-21-17-24-30(36-25(33)12-9-19-5-3-2-4-6-19)14-13-22(32)28-29(30,26(21)27(23)35-28)15-16-31(24)18-20-7-8-20/h2-6,9-12,20,24,28H,7-8,13-18H2,1H3/b12-9+/t24-,28+,29+,30-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50398946
PNG
(CHEMBL2179263)
Show SMILES CO[C@]12CC[C@@]3(C[C@@H]1CNC(=O)\C=C\c1ccccc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r,THB:8:7:30.29:3.4|
Show InChI InChI=1S/C33H38N2O4/c1-38-33-14-13-31(18-24(33)19-34-27(37)12-9-21-5-3-2-4-6-21)26-17-23-10-11-25(36)29-28(23)32(31,30(33)39-29)15-16-35(26)20-22-7-8-22/h2-6,9-12,22,24,26,30,36H,7-8,13-20H2,1H3,(H,34,37)/b12-9+/t24-,26-,30-,31-,32+,33-/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]U69593 from KOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
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]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
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 Bath

Curated by ChEMBL


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


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299730
PNG
(CHEMBL574397 | N-Cyclopropylmethyl-14beta-[4'-chlo...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H27ClN2O4/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,1-2,11-16H2,(H,31,35)/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]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50398948
PNG
(CHEMBL2179261)
Show SMILES COC(=O)\C=C\C(=O)NC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,THB:9:10:32.18:14.13|
Show InChI InChI=1S/C29H36N2O6/c1-35-23(34)8-7-22(33)30-15-19-14-27-9-10-29(19,36-2)26-28(27)11-12-31(16-17-3-4-17)21(27)13-18-5-6-20(32)25(37-26)24(18)28/h5-8,17,19,21,26,32H,3-4,9-16H2,1-2H3,(H,30,33)/b8-7+/t19-,21-,26-,27-,28+,29-/m1/s1
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2.80n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from KOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50398949
PNG
(CHEMBL2179260)
Show SMILES COC(=O)\C=C\C(=O)N[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O |r,THB:8:9:31.17:13.12|
Show InChI InChI=1S/C28H34N2O6/c1-34-22(33)8-7-21(32)29-19-14-26-9-10-28(19,35-2)25-27(26)11-12-30(15-16-3-4-16)20(26)13-17-5-6-18(31)24(36-25)23(17)27/h5-8,16,19-20,25,31H,3-4,9-15H2,1-2H3,(H,29,32)/b8-7+/t19-,20+,25+,26+,27-,28+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from MOR in guinea pig brain membrane


J Med Chem 55: 9868-74 (2012)


Article DOI: 10.1021/jm301096s
BindingDB Entry DOI: 10.7270/Q2M909TS
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50299727
PNG
(CHEMBL574175 | N-Cyclopropylmethyl-14beta-[3'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O3/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,3-4,11-17H2/t24-,27+,28+,29-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
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 Bath

Curated by ChEMBL


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


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
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 by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50299727
PNG
(CHEMBL574175 | N-Cyclopropylmethyl-14beta-[3'-(4''...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NCC#Cc1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29ClN2O3/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,3-4,11-17H2/t24-,27+,28+,29-/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]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50248990
PNG
(14beta-(4-Methylcinnamoyloxy)-N-cyclopropylmethyl-...)
Show SMILES Cc1ccc(\C=C\C(=O)O[C@]23CCC(=O)[C@@H]4Oc5c6c(C[C@H]2N(CC2CC2)CC[C@@]346)ccc5O)cc1 |r|
Show InChI InChI=1S/C30H31NO5/c1-18-2-4-19(5-3-18)8-11-25(34)36-30-13-12-23(33)28-29(30)14-15-31(17-20-6-7-20)24(30)16-21-9-10-22(32)27(35-28)26(21)29/h2-5,8-11,20,24,28,32H,6-7,12-17H2,1H3/b11-8+/t24-,28+,29+,30-/m1/s1
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3.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50248992
PNG
(CHEMBL512526 | N-Cyclopropylmethyl-14beta-4'-chlor...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H30ClNO5/c1-35-23-10-7-20-16-24-30(37-25(34)11-6-18-4-8-21(31)9-5-18)13-12-22(33)28-29(30,26(20)27(23)36-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3/b11-6+/t24-,28+,29+,30-/m1/s1
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3.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50248968
PNG
(14beta-Cinnamoyloxy-N-cyclopropylmethyl-7,8-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OC(=O)\C=C\c1ccccc1 |r|
Show InChI InChI=1S/C29H29NO5/c31-21-10-9-20-16-23-29(35-24(33)11-8-18-4-2-1-3-5-18)13-12-22(32)27-28(29,25(20)26(21)34-27)14-15-30(23)17-19-6-7-19/h1-5,8-11,19,23,27,31H,6-7,12-17H2/b11-8+/t23-,27+,28+,29-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from kappa opioid receptor in Hartely guinea pig brain membrane


J Med Chem 52: 1553-7 (2009)


Article DOI: 10.1021/jm8012272
BindingDB Entry DOI: 10.7270/Q2G44R6N
More data for this
Ligand-Target Pair
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