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Compile Data Set for Download or QSAR

Found 116 hits Enz. Inhib. hit(s) with all data for entry = 50039018   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50304170
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C27H29BrN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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0n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of compound 16-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50378578
PNG
(CHEMBL1627119)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=S)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1
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0.00500n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of compound 16-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50304175
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Cc1ccc(cc1)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/C28H32N2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32)/t20-,22-,25+,27+,28-/m1/s1
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0.0150n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of compound 16-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000787
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
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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0.0420n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of compound 16-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304175
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Cc1ccc(cc1)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/C28H32N2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32)/t20-,22-,25+,27+,28-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of compound 14-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50304175
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Cc1ccc(cc1)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/C28H32N2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32)/t20-,22-,25+,27+,28-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50304174
PNG
(4-chloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmeth...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H29ClN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50304170
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C27H29BrN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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0.290n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000787
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
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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0.300n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of compound 14-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50304173
PNG
(3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H28Cl2N2O4/c28-17-5-3-16(11-18(17)29)25(33)30-19-7-8-27(34)21-12-15-4-6-20(32)23-22(15)26(27,24(19)35-23)9-10-31(21)13-14-1-2-14/h3-6,11,14,19,21,24,32,34H,1-2,7-10,12-13H2,(H,30,33)/t19-,21-,24+,26+,27-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50304175
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Cc1ccc(cc1)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/C28H32N2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32)/t20-,22-,25+,27+,28-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50304176
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F3N2O4/c29-28(30,31)18-6-3-16(4-7-18)25(35)32-19-9-10-27(36)21-13-17-5-8-20(34)23-22(17)26(27,24(19)37-23)11-12-33(21)14-15-1-2-15/h3-8,15,19,21,24,34,36H,1-2,9-14H2,(H,32,35)/t19-,21-,24+,26+,27-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50304171
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(I)cc1 |r|
Show InChI InChI=1S/C27H29IN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50304172
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES CC(C)(C)c1ccc(cc1)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/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50304176
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F3N2O4/c29-28(30,31)18-6-3-16(4-7-18)25(35)32-19-9-10-27(36)21-13-17-5-8-20(34)23-22(17)26(27,24(19)37-23)11-12-33(21)14-15-1-2-15/h3-8,15,19,21,24,34,36H,1-2,9-14H2,(H,32,35)/t19-,21-,24+,26+,27-/m1/s1
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0.470n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50304173
PNG
(3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H28Cl2N2O4/c28-17-5-3-16(11-18(17)29)25(33)30-19-7-8-27(34)21-12-15-4-6-20(32)23-22(15)26(27,24(19)35-23)9-10-31(21)13-14-1-2-14/h3-6,11,14,19,21,24,32,34H,1-2,7-10,12-13H2,(H,30,33)/t19-,21-,24+,26+,27-/m1/s1
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0.480n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50304174
PNG
(4-chloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmeth...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H29ClN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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0.610n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50304176
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F3N2O4/c29-28(30,31)18-6-3-16(4-7-18)25(35)32-19-9-10-27(36)21-13-17-5-8-20(34)23-22(17)26(27,24(19)37-23)11-12-33(21)14-15-1-2-15/h3-8,15,19,21,24,34,36H,1-2,9-14H2,(H,32,35)/t19-,21-,24+,26+,27-/m1/s1
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0.637n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of compound 16-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82551
PNG
(C18130 | CAS_105618-26-6 | NOR-BNI (HCI)2 | NORBNI)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2[C@@H]4Oc6c7c(C[C@H]8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O |r|
Show InChI InChI=1S/C40H43N3O6/c44-25-7-5-21-13-27-39(46)15-23-24-16-40(47)28-14-22-6-8-26(45)34-30(22)38(40,10-12-43(28)18-20-3-4-20)36(49-34)32(24)41-31(23)35-37(39,29(21)33(25)48-35)9-11-42(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,41,44-47H,1-4,9-18H2/t27-,28-,35+,36+,37+,38+,39-,40-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000787
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
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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0.810n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50304171
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(I)cc1 |r|
Show InChI InChI=1S/C27H29IN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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0.820n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50304170
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C27H29BrN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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0.880n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50045776
PNG
(CHEMBL982 | JF-1 | NALMEFENE | Nalmetrene | ORF-11...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r|
Show InChI InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1
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0.910n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50045776
PNG
(CHEMBL982 | JF-1 | NALMEFENE | Nalmetrene | ORF-11...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r|
Show InChI InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1
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1n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304173
PNG
(3,4-dichloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropyl...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C27H28Cl2N2O4/c28-17-5-3-16(11-18(17)29)25(33)30-19-7-8-27(34)21-12-15-4-6-20(32)23-22(15)26(27,24(19)35-23)9-10-31(21)13-14-1-2-14/h3-6,11,14,19,21,24,32,34H,1-2,7-10,12-13H2,(H,30,33)/t19-,21-,24+,26+,27-/m1/s1
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1n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50304172
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES CC(C)(C)c1ccc(cc1)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/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304171
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(I)cc1 |r|
Show InChI InChI=1S/C27H29IN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304172
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES CC(C)(C)c1ccc(cc1)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/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304170
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C27H29BrN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304176
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F3N2O4/c29-28(30,31)18-6-3-16(4-7-18)25(35)32-19-9-10-27(36)21-13-17-5-8-20(34)23-22(17)26(27,24(19)37-23)11-12-33(21)14-15-1-2-15/h3-8,15,19,21,24,34,36H,1-2,9-14H2,(H,32,35)/t19-,21-,24+,26+,27-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304174
PNG
(4-chloro-N-[(1S,5R,13R,14R,17S)-4-(cyclopropylmeth...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H29ClN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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2.60n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000787
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
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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3.60n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of compound 11-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304175
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Cc1ccc(cc1)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/C28H32N2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32)/t20-,22-,25+,27+,28-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50304176
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F3N2O4/c29-28(30,31)18-6-3-16(4-7-18)25(35)32-19-9-10-27(36)21-13-17-5-8-20(34)23-22(17)26(27,24(19)37-23)11-12-33(21)14-15-1-2-15/h3-8,15,19,21,24,34,36H,1-2,9-14H2,(H,32,35)/t19-,21-,24+,26+,27-/m1/s1
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4.20n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at NOP expressed in HEK293 cells assessed as inhibition of compound 15-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304172
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES CC(C)(C)c1ccc(cc1)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/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1
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>10n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of compound 14-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304171
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(I)cc1 |r|
Show InChI InChI=1S/C27H29IN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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>10n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of compound 14-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304176
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C28H29F3N2O4/c29-28(30,31)18-6-3-16(4-7-18)25(35)32-19-9-10-27(36)21-13-17-5-8-20(34)23-22(17)26(27,24(19)37-23)11-12-33(21)14-15-1-2-15/h3-8,15,19,21,24,34,36H,1-2,9-14H2,(H,32,35)/t19-,21-,24+,26+,27-/m1/s1
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>10n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of compound 14-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50304170
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C27H29BrN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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>10n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of compound 14-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50045776
PNG
(CHEMBL982 | JF-1 | NALMEFENE | Nalmetrene | ORF-11...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O |r|
Show InChI InChI=1S/C21H25NO3/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13/h4-5,13,16,19,23-24H,1-3,6-11H2/t16-,19+,20+,21-/m1/s1
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13n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000787
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
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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16n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometry


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50000787
PNG
((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |r|
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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67n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of compound 14-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50304175
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Cc1ccc(cc1)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/C28H32N2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32)/t20-,22-,25+,27+,28-/m1/s1
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6.20E+3n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of compound 11-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50304172
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES CC(C)(C)c1ccc(cc1)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/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of compound 11-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50304175
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Cc1ccc(cc1)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/C28H32N2O4/c1-16-2-6-18(7-3-16)26(32)29-20-10-11-28(33)22-14-19-8-9-21(31)24-23(19)27(28,25(20)34-24)12-13-30(22)15-17-4-5-17/h2-3,6-9,17,20,22,25,31,33H,4-5,10-15H2,1H3,(H,29,32)/t20-,22-,25+,27+,28-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at NOP expressed in HEK293 cells assessed as inhibition of compound 15-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50304170
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C27H29BrN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at NOP expressed in HEK293 cells assessed as inhibition of compound 15-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50304171
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1ccc(I)cc1 |r|
Show InChI InChI=1S/C27H29IN2O4/c28-18-6-3-16(4-7-18)25(32)29-19-9-10-27(33)21-13-17-5-8-20(31)23-22(17)26(27,24(19)34-23)11-12-30(21)14-15-1-2-15/h3-8,15,19,21,24,31,33H,1-2,9-14H2,(H,29,32)/t19-,21-,24+,26+,27-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at NOP expressed in HEK293 cells assessed as inhibition of compound 15-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM50304172
PNG
(17-Cyclopropylmethyl-3,14beta-dihydroxy-4,5alpha-e...)
Show SMILES CC(C)(C)c1ccc(cc1)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/C31H38N2O4/c1-29(2,3)21-9-6-19(7-10-21)28(35)32-22-12-13-31(36)24-16-20-8-11-23(34)26-25(20)30(31,27(22)37-26)14-15-33(24)17-18-4-5-18/h6-11,18,22,24,27,34,36H,4-5,12-17H2,1-3H3,(H,32,35)/t22-,24-,27+,30+,31-/m1/s1
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Human BioMolecular Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at NOP expressed in HEK293 cells assessed as inhibition of compound 15-induced [35S]GTPgammaS binding


Bioorg Med Chem 17: 6671-81 (2009)


Article DOI: 10.1016/j.bmc.2009.07.069
BindingDB Entry DOI: 10.7270/Q2PK0H37
More data for this
Ligand-Target Pair
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