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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50037853   
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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/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]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157793
PNG
(6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157789
PNG
(17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...)
Show SMILES CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,THB:16:15:11:25.26.27,20:32:11:25.26.27|
Show InChI InChI=1S/C28H34N2O3/c1-2-30-20-6-4-3-5-18(20)19-14-28(32)22-13-17-9-10-21(31)25-23(17)27(28,26(33-25)24(19)30)11-12-29(22)15-16-7-8-16/h9-10,16,22,26,31-32H,2-8,11-15H2,1H3/t22?,26-,27-,28+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157798
PNG
(CHEMBL222597 | l',17-dicyclopropylmethyl-6-7-dideh...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C30H36N2O3/c33-23-10-9-19-13-24-30(34)14-21-20-3-1-2-4-22(20)32(16-18-7-8-18)26(21)28-29(30,25(19)27(23)35-28)11-12-31(24)15-17-5-6-17/h9-10,17-18,24,28,33-34H,1-8,11-16H2/t24?,28-,29-,30+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157797
PNG
(17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CCc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C34H38N2O3/c37-27-13-12-23-18-28-34(38)19-25-24-8-4-5-9-26(24)36(16-14-21-6-2-1-3-7-21)30(25)32-33(34,29(23)31(27)39-32)15-17-35(28)20-22-10-11-22/h1-3,6-7,12-13,22,28,32,37-38H,4-5,8-11,14-20H2/t28?,32-,33-,34+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157792
PNG
(17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...)
Show SMILES Cn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:15:14:10:26.24.25,19:31:10:26.24.25|
Show InChI InChI=1S/C27H32N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h8-9,15,21,25,30-31H,2-7,10-14H2,1H3/t21?,25-,26-,27+/m0/s1
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2n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157798
PNG
(CHEMBL222597 | l',17-dicyclopropylmethyl-6-7-dideh...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C30H36N2O3/c33-23-10-9-19-13-24-30(34)14-21-20-3-1-2-4-22(20)32(16-18-7-8-18)26(21)28-29(30,25(19)27(23)35-28)11-12-31(24)15-17-5-6-17/h9-10,17-18,24,28,33-34H,1-8,11-16H2/t24?,28-,29-,30+/m0/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 recombinant mu opioid receptor expressed in CHO cells


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157798
PNG
(CHEMBL222597 | l',17-dicyclopropylmethyl-6-7-dideh...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C30H36N2O3/c33-23-10-9-19-13-24-30(34)14-21-20-3-1-2-4-22(20)32(16-18-7-8-18)26(21)28-29(30,25(19)27(23)35-28)11-12-31(24)15-17-5-6-17/h9-10,17-18,24,28,33-34H,1-8,11-16H2/t24?,28-,29-,30+/m0/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]U-69593 from human recombinant kappa opioid receptor expressed in CHO cells


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157796
PNG
(6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-1'-eth...)
Show SMILES CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4C)c56 |r,THB:16:15:11:25.26.27,20:29:11:25.26.27|
Show InChI InChI=1S/C25H30N2O3/c1-3-27-17-7-5-4-6-15(17)16-13-25(29)19-12-14-8-9-18(28)22-20(14)24(25,10-11-26(19)2)23(30-22)21(16)27/h8-9,19,23,28-29H,3-7,10-13H2,1-2H3/t19?,23-,24-,25+/m0/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]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157795
PNG
((1S,2S,13R)-11-benzyl-22-(cyclopropylmethyl)-14-ox...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1Cc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C33H36N2O3/c36-26-13-12-22-16-27-33(37)17-24-23-8-4-5-9-25(23)35(19-20-6-2-1-3-7-20)29(24)31-32(33,28(22)30(26)38-31)14-15-34(27)18-21-10-11-21/h1-3,6-7,12-13,21,27,31,36-37H,4-5,8-11,14-19H2/t27?,31-,32-,33+/m0/s1
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2.90n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157800
PNG
((1S,2S,9R)-18-(cyclopropylmethyl)-7-ethyl-5-phenyl...)
Show SMILES CCn1cc(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |r,THB:12:11:7:21.22.23,16:28:7:21.22.23|
Show InChI InChI=1S/C30H32N2O3/c1-2-31-17-22(19-6-4-3-5-7-19)21-15-30(34)24-14-20-10-11-23(33)27-25(20)29(30,28(35-27)26(21)31)12-13-32(24)16-18-8-9-18/h3-7,10-11,17-18,24,28,33-34H,2,8-9,12-16H2,1H3/t24?,28-,29-,30+/m0/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]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157791
PNG
(1'-cyclohexylmethyl-17-cyclopropylmethyl-6-7-dideh...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CCCCC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C33H42N2O3/c36-26-13-12-22-16-27-33(37)17-24-23-8-4-5-9-25(23)35(19-20-6-2-1-3-7-20)29(24)31-32(33,28(22)30(26)38-31)14-15-34(27)18-21-10-11-21/h12-13,20-21,27,31,36-37H,1-11,14-19H2/t27?,31-,32-,33+/m0/s1
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3.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157801
PNG
((1S,2S,9R)-18-(cyclopropylmethyl)-7-methyl-5-pheny...)
Show SMILES Cn1cc(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |r,THB:11:10:6:20.21.22,15:27:6:20.21.22|
Show InChI InChI=1S/C29H30N2O3/c1-30-16-21(18-5-3-2-4-6-18)20-14-29(33)23-13-19-9-10-22(32)26-24(19)28(29,27(34-26)25(20)30)11-12-31(23)15-17-7-8-17/h2-6,9-10,16-17,23,27,32-33H,7-8,11-15H2,1H3/t23?,27-,28-,29+/m0/s1
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3.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157792
PNG
(17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...)
Show SMILES Cn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:15:14:10:26.24.25,19:31:10:26.24.25|
Show InChI InChI=1S/C27H32N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h8-9,15,21,25,30-31H,2-7,10-14H2,1H3/t21?,25-,26-,27+/m0/s1
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4.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157790
PNG
(1'-cyclohexylmethyl-6,7-didehydro-3,14-dihydroxy-4...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CC2CCCCC2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C30H38N2O3/c1-31-14-13-29-25-19-11-12-23(33)27(25)35-28(29)26-21(16-30(29,34)24(31)15-19)20-9-5-6-10-22(20)32(26)17-18-7-3-2-4-8-18/h11-12,18,24,28,33-34H,2-10,13-17H2,1H3/t24?,28-,29-,30+/m0/s1
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4.20n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157794
PNG
(6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-17-met...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CCc2ccccc2)c41)ccc5O |r,TLB:32:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C31H34N2O3/c1-32-16-14-30-26-20-11-12-24(34)28(26)36-29(30)27-22(18-31(30,35)25(32)17-20)21-9-5-6-10-23(21)33(27)15-13-19-7-3-2-4-8-19/h2-4,7-8,11-12,25,29,34-35H,5-6,9-10,13-18H2,1H3/t25?,29-,30-,31+/m0/s1
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5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157789
PNG
(17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...)
Show SMILES CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,THB:16:15:11:25.26.27,20:32:11:25.26.27|
Show InChI InChI=1S/C28H34N2O3/c1-2-30-20-6-4-3-5-18(20)19-14-28(32)22-13-17-9-10-21(31)25-23(17)27(28,26(33-25)24(19)30)11-12-29(22)15-16-7-8-16/h9-10,16,22,26,31-32H,2-8,11-15H2,1H3/t22?,26-,27-,28+/m0/s1
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5.10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157795
PNG
((1S,2S,13R)-11-benzyl-22-(cyclopropylmethyl)-14-ox...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1Cc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C33H36N2O3/c36-26-13-12-22-16-27-33(37)17-24-23-8-4-5-9-25(23)35(19-20-6-2-1-3-7-20)29(24)31-32(33,28(22)30(26)38-31)14-15-34(27)18-21-10-11-21/h1-3,6-7,12-13,21,27,31,36-37H,4-5,8-11,14-19H2/t27?,31-,32-,33+/m0/s1
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5.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157792
PNG
(17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...)
Show SMILES Cn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |THB:15:14:10:26.24.25,19:31:10:26.24.25|
Show InChI InChI=1S/C27H32N2O3/c1-28-19-5-3-2-4-17(19)18-13-27(31)21-12-16-8-9-20(30)24-22(16)26(27,25(32-24)23(18)28)10-11-29(21)14-15-6-7-15/h8-9,15,21,25,30-31H,2-7,10-14H2,1H3/t21?,25-,26-,27+/m0/s1
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5.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157795
PNG
((1S,2S,13R)-11-benzyl-22-(cyclopropylmethyl)-14-ox...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1Cc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C33H36N2O3/c36-26-13-12-22-16-27-33(37)17-24-23-8-4-5-9-25(23)35(19-20-6-2-1-3-7-20)29(24)31-32(33,28(22)30(26)38-31)14-15-34(27)18-21-10-11-21/h1-3,6-7,12-13,21,27,31,36-37H,4-5,8-11,14-19H2/t27?,31-,32-,33+/m0/s1
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6.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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6.30n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157789
PNG
(17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...)
Show SMILES CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,THB:16:15:11:25.26.27,20:32:11:25.26.27|
Show InChI InChI=1S/C28H34N2O3/c1-2-30-20-6-4-3-5-18(20)19-14-28(32)22-13-17-9-10-21(31)25-23(17)27(28,26(33-25)24(19)30)11-12-29(22)15-16-7-8-16/h9-10,16,22,26,31-32H,2-8,11-15H2,1H3/t22?,26-,27-,28+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157797
PNG
(17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CCc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C34H38N2O3/c37-27-13-12-23-18-28-34(38)19-25-24-8-4-5-9-26(24)36(16-14-21-6-2-1-3-7-21)30(25)32-33(34,29(23)31(27)39-32)15-17-35(28)20-22-10-11-22/h1-3,6-7,12-13,22,28,32,37-38H,4-5,8-11,14-20H2/t28?,32-,33-,34+/m0/s1
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7.5n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157801
PNG
((1S,2S,9R)-18-(cyclopropylmethyl)-7-methyl-5-pheny...)
Show SMILES Cn1cc(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |r,THB:11:10:6:20.21.22,15:27:6:20.21.22|
Show InChI InChI=1S/C29H30N2O3/c1-30-16-21(18-5-3-2-4-6-18)20-14-29(33)23-13-19-9-10-22(32)26-24(19)28(29,27(34-26)25(20)30)11-12-31(23)15-17-7-8-17/h2-6,9-10,16-17,23,27,32-33H,7-8,11-15H2,1H3/t23?,27-,28-,29+/m0/s1
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7.60n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157800
PNG
((1S,2S,9R)-18-(cyclopropylmethyl)-7-ethyl-5-phenyl...)
Show SMILES CCn1cc(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |r,THB:12:11:7:21.22.23,16:28:7:21.22.23|
Show InChI InChI=1S/C30H32N2O3/c1-2-31-17-22(19-6-4-3-5-7-19)21-15-30(34)24-14-20-10-11-23(33)27-25(20)29(30,28(35-27)26(21)31)12-13-32(24)16-18-8-9-18/h3-7,10-11,17-18,24,28,33-34H,2,8-9,12-16H2,1H3/t24?,28-,29-,30+/m0/s1
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8.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157797
PNG
(17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CCc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C34H38N2O3/c37-27-13-12-23-18-28-34(38)19-25-24-8-4-5-9-26(24)36(16-14-21-6-2-1-3-7-21)30(25)32-33(34,29(23)31(27)39-32)15-17-35(28)20-22-10-11-22/h1-3,6-7,12-13,22,28,32,37-38H,4-5,8-11,14-20H2/t28?,32-,33-,34+/m0/s1
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9n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM21864
PNG
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)
Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
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10n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50108788
PNG
(7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12|
Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/m0/s1
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14n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157794
PNG
(6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-17-met...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CCc2ccccc2)c41)ccc5O |r,TLB:32:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C31H34N2O3/c1-32-16-14-30-26-20-11-12-24(34)28(26)36-29(30)27-22(18-31(30,35)25(32)17-20)21-9-5-6-10-23(21)33(27)15-13-19-7-3-2-4-8-19/h2-4,7-8,11-12,25,29,34-35H,5-6,9-10,13-18H2,1H3/t25?,29-,30-,31+/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50108788
PNG
(7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12|
Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/m0/s1
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17n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157790
PNG
(1'-cyclohexylmethyl-6,7-didehydro-3,14-dihydroxy-4...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CC2CCCCC2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C30H38N2O3/c1-31-14-13-29-25-19-11-12-23(33)27(25)35-28(29)26-21(16-30(29,34)24(31)15-19)20-9-5-6-10-22(20)32(26)17-18-7-3-2-4-8-18/h11-12,18,24,28,33-34H,2-10,13-17H2,1H3/t24?,28-,29-,30+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157799
PNG
(1'-benzyl-6,7-didehydro-3,14-dihydroxy-4,5alpha-ep...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(Cc2ccccc2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C30H32N2O3/c1-31-14-13-29-25-19-11-12-23(33)27(25)35-28(29)26-21(16-30(29,34)24(31)15-19)20-9-5-6-10-22(20)32(26)17-18-7-3-2-4-8-18/h2-4,7-8,11-12,24,28,33-34H,5-6,9-10,13-17H2,1H3/t24?,28-,29-,30+/m0/s1
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18n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157791
PNG
(1'-cyclohexylmethyl-17-cyclopropylmethyl-6-7-dideh...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CCCCC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C33H42N2O3/c36-26-13-12-22-16-27-33(37)17-24-23-8-4-5-9-25(23)35(19-20-6-2-1-3-7-20)29(24)31-32(33,28(22)30(26)38-31)14-15-34(27)18-21-10-11-21/h12-13,20-21,27,31,36-37H,1-11,14-19H2/t27?,31-,32-,33+/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157801
PNG
((1S,2S,9R)-18-(cyclopropylmethyl)-7-methyl-5-pheny...)
Show SMILES Cn1cc(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |r,THB:11:10:6:20.21.22,15:27:6:20.21.22|
Show InChI InChI=1S/C29H30N2O3/c1-30-16-21(18-5-3-2-4-6-18)20-14-29(33)23-13-19-9-10-22(32)26-24(19)28(29,27(34-26)25(20)30)11-12-31(23)15-17-7-8-17/h2-6,9-10,16-17,23,27,32-33H,7-8,11-15H2,1H3/t23?,27-,28-,29+/m0/s1
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19n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157800
PNG
((1S,2S,9R)-18-(cyclopropylmethyl)-7-ethyl-5-phenyl...)
Show SMILES CCn1cc(c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56)-c1ccccc1 |r,THB:12:11:7:21.22.23,16:28:7:21.22.23|
Show InChI InChI=1S/C30H32N2O3/c1-2-31-17-22(19-6-4-3-5-7-19)21-15-30(34)24-14-20-10-11-23(33)27-25(20)29(30,28(35-27)26(21)31)12-13-32(24)16-18-8-9-18/h3-7,10-11,17-18,24,28,33-34H,2,8-9,12-16H2,1H3/t24?,28-,29-,30+/m0/s1
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24n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157793
PNG
(6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1
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25n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157791
PNG
(1'-cyclohexylmethyl-17-cyclopropylmethyl-6-7-dideh...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CCCCC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C33H42N2O3/c36-26-13-12-22-16-27-33(37)17-24-23-8-4-5-9-25(23)35(19-20-6-2-1-3-7-20)29(24)31-32(33,28(22)30(26)38-31)14-15-34(27)18-21-10-11-21/h12-13,20-21,27,31,36-37H,1-11,14-19H2/t27?,31-,32-,33+/m0/s1
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25n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157796
PNG
(6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-1'-eth...)
Show SMILES CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4C)c56 |r,THB:16:15:11:25.26.27,20:29:11:25.26.27|
Show InChI InChI=1S/C25H30N2O3/c1-3-27-17-7-5-4-6-15(17)16-13-25(29)19-12-14-8-9-18(28)22-20(14)24(25,10-11-26(19)2)23(30-22)21(16)27/h8-9,19,23,28-29H,3-7,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1
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26n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157799
PNG
(1'-benzyl-6,7-didehydro-3,14-dihydroxy-4,5alpha-ep...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(Cc2ccccc2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C30H32N2O3/c1-31-14-13-29-25-19-11-12-23(33)27(25)35-28(29)26-21(16-30(29,34)24(31)15-19)20-9-5-6-10-22(20)32(26)17-18-7-3-2-4-8-18/h2-4,7-8,11-12,24,28,33-34H,5-6,9-10,13-17H2,1H3/t24?,28-,29-,30+/m0/s1
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89n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157793
PNG
(6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1
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89n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50108788
PNG
(7-benzyl-18-cyclopropylmethyl-5-phenyl-10-oxa-7,18...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c(cn1Cc1ccccc1)-c1ccccc1 |TLB:3:4:22:7.13.12,17:18:22:7.13.12|
Show InChI InChI=1S/C35H34N2O3/c38-28-14-13-25-17-29-35(39)18-26-27(24-9-5-2-6-10-24)21-37(20-22-7-3-1-4-8-22)31(26)33-34(35,30(25)32(28)40-33)15-16-36(29)19-23-11-12-23/h1-10,13-14,21,23,29,33,38-39H,11-12,15-20H2/t29?,33-,34-,35+/m0/s1
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120n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157794
PNG
(6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-17-met...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CCc2ccccc2)c41)ccc5O |r,TLB:32:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C31H34N2O3/c1-32-16-14-30-26-20-11-12-24(34)28(26)36-29(30)27-22(18-31(30,35)25(32)17-20)21-9-5-6-10-23(21)33(27)15-13-19-7-3-2-4-8-19/h2-4,7-8,11-12,25,29,34-35H,5-6,9-10,13-18H2,1H3/t25?,29-,30-,31+/m0/s1
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163n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157796
PNG
(6,7-didehydro-3,14-dihydroxy-4,5alpha-epoxy-1'-eth...)
Show SMILES CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4C)c56 |r,THB:16:15:11:25.26.27,20:29:11:25.26.27|
Show InChI InChI=1S/C25H30N2O3/c1-3-27-17-7-5-4-6-15(17)16-13-25(29)19-12-14-8-9-18(28)22-20(14)24(25,10-11-26(19)2)23(30-22)21(16)27/h8-9,19,23,28-29H,3-7,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1
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168n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157790
PNG
(1'-cyclohexylmethyl-6,7-didehydro-3,14-dihydroxy-4...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CC2CCCCC2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C30H38N2O3/c1-31-14-13-29-25-19-11-12-23(33)27(25)35-28(29)26-21(16-30(29,34)24(31)15-19)20-9-5-6-10-22(20)32(26)17-18-7-3-2-4-8-18/h11-12,18,24,28,33-34H,2-10,13-17H2,1H3/t24?,28-,29-,30+/m0/s1
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262n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157799
PNG
(1'-benzyl-6,7-didehydro-3,14-dihydroxy-4,5alpha-ep...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(Cc2ccccc2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C30H32N2O3/c1-31-14-13-29-25-19-11-12-23(33)27(25)35-28(29)26-21(16-30(29,34)24(31)15-19)20-9-5-6-10-22(20)32(26)17-18-7-3-2-4-8-18/h2-4,7-8,11-12,24,28,33-34H,5-6,9-10,13-17H2,1H3/t24?,28-,29-,30+/m0/s1
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289n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157791
PNG
(1'-cyclohexylmethyl-17-cyclopropylmethyl-6-7-dideh...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CC1CCCCC1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C33H42N2O3/c36-26-13-12-22-16-27-33(37)17-24-23-8-4-5-9-25(23)35(19-20-6-2-1-3-7-20)29(24)31-32(33,28(22)30(26)38-31)14-15-34(27)18-21-10-11-21/h12-13,20-21,27,31,36-37H,1-11,14-19H2/t27?,31-,32-,33+/m0/s1
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n/an/an/an/a 54n/an/an/an/a



University of Bath

Curated by ChEMBL


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


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157790
PNG
(1'-cyclohexylmethyl-6,7-didehydro-3,14-dihydroxy-4...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CC2CCCCC2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C30H38N2O3/c1-31-14-13-29-25-19-11-12-23(33)27(25)35-28(29)26-21(16-30(29,34)24(31)15-19)20-9-5-6-10-22(20)32(26)17-18-7-3-2-4-8-18/h11-12,18,24,28,33-34H,2-10,13-17H2,1H3/t24?,28-,29-,30+/m0/s1
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n/an/an/an/a 130n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50157793
PNG
(6,7-didehydro-3,14-dihydroxy-1'17-dimethyl-4,5 alp...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(C)c41)ccc5O |r,TLB:25:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C24H28N2O3/c1-25-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(25)11-13)14-5-3-4-6-16(14)26(20)2/h7-8,18,22,27-28H,3-6,9-12H2,1-2H3/t18?,22-,23-,24+/m0/s1
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n/an/an/an/a 222n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157790
PNG
(1'-cyclohexylmethyl-6,7-didehydro-3,14-dihydroxy-4...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@]3(O)Cc1c2CCCCc2n(CC2CCCCC2)c41)ccc5O |r,TLB:31:9:12:3.2.1,7:8:12:3.2.1|
Show InChI InChI=1S/C30H38N2O3/c1-31-14-13-29-25-19-11-12-23(33)27(25)35-28(29)26-21(16-30(29,34)24(31)15-19)20-9-5-6-10-22(20)32(26)17-18-7-3-2-4-8-18/h11-12,18,24,28,33-34H,2-10,13-17H2,1H3/t24?,28-,29-,30+/m0/s1
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n/an/an/an/a 13n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50157789
PNG
(17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...)
Show SMILES CCn1c2CCCCc2c2C[C@@]3(O)C4Cc5ccc(O)c6O[C@@H](c12)[C@]3(CCN4CC1CC1)c56 |r,THB:16:15:11:25.26.27,20:32:11:25.26.27|
Show InChI InChI=1S/C28H34N2O3/c1-2-30-20-6-4-3-5-18(20)19-14-28(32)22-13-17-9-10-21(31)25-23(17)27(28,26(33-25)24(19)30)11-12-29(22)15-16-7-8-16/h9-10,16,22,26,31-32H,2-8,11-15H2,1H3/t22?,26-,27-,28+/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
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n/an/an/an/a 14n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
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