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Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'riba' and Initial = 'p'   
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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86446
PNG
(14-O-methyloxymorphone)
Show SMILES CCOC12CCC(=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:20:12:3:15.18.17,10:11:3:15.18.17|
Show InChI InChI=1S/C19H23NO4/c1-3-23-19-7-6-13(22)17-18(19)8-9-20(2)14(19)10-11-4-5-12(21)16(24-17)15(11)18/h4-5,14,17,21H,3,6-10H2,1-2H3/t14?,17-,18-,19?/m0/s1
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0.100n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86261
PNG
(14-methoxymetopon | CAS_131575-03-6 | NSC_125489)
Show SMILES COC12CCC(=O)C3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:1:2:18.17.15:13.12.11,THB:3:2:18.17.15:13.12.11|
Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3
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0.150n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50336596
PNG
(CHEMBL3216716 | [[4,5alpha-Epoxy-3-hydroxy-17-meth...)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O |r,TLB:12:11:16:6.7.8|
Show InChI InChI=1S/C28H34N2O5/c1-30-14-13-27-24-19-9-10-21(31)25(24)35-26(27)20(29-17-23(32)33)11-12-28(27,22(30)16-19)34-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,20,22,26,29,31H,5,8,11-17H2,1H3,(H,32,33)/t20-,22+,26-,27-,28+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50336597
PNG
(CHEMBL3216475 | [[4,5alpha-Epoxy-3-hydroxy-17-meth...)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O |r,TLB:12:11:16:6.7.8|
Show InChI InChI=1S/C28H34N2O5/c1-30-14-13-27-24-19-9-10-21(31)25(24)35-26(27)20(29-17-23(32)33)11-12-28(27,22(30)16-19)34-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,20,22,26,29,31H,5,8,11-17H2,1H3,(H,32,33)/t20-,22-,26+,27+,28-/m1/s1
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0.190n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50336600
PNG
(CHEMBL3216936 | [[17-Cyclopropylmethyl-4,5alpha-ep...)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CC[C@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O |r,TLB:12:11:19:6.7.8|
Show InChI InChI=1S/C31H38N2O5/c34-24-11-10-22-17-25-31(37-16-4-7-20-5-2-1-3-6-20)13-12-23(32-18-26(35)36)29-30(31,27(22)28(24)38-29)14-15-33(25)19-21-8-9-21/h1-3,5-6,10-11,21,23,25,29,32,34H,4,7-9,12-19H2,(H,35,36)/t23-,25+,29-,30-,31+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50336591
PNG
((1R,5R,13R,17S)-10-hydroxy-4,13-dimethyl-17-(3-phe...)
Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCCCc2ccccc2)[C@H]1Cc4ccc5O |r|
Show InChI InChI=1S/C27H31NO4/c1-25-22(30)12-13-27(31-16-6-9-18-7-4-3-5-8-18)21-17-19-10-11-20(29)24(32-25)23(19)26(25,27)14-15-28(21)2/h3-5,7-8,10-11,21,29H,6,9,12-17H2,1-2H3/t21-,25+,26+,27-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50336601
PNG
(CHEMBL3216476 | [[17-Cyclopropylmethyl-4,5alpha-ep...)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CC[C@@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O |r,TLB:12:11:19:6.7.8|
Show InChI InChI=1S/C31H38N2O5/c34-24-11-10-22-17-25-31(37-16-4-7-20-5-2-1-3-6-20)13-12-23(32-18-26(35)36)29-30(31,27(22)28(24)38-29)14-15-33(25)19-21-8-9-21/h1-3,5-6,10-11,21,23,25,29,32,34H,4,7-9,12-19H2,(H,35,36)/t23-,25-,29+,30+,31-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
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 Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
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 Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50336591
PNG
((1R,5R,13R,17S)-10-hydroxy-4,13-dimethyl-17-(3-phe...)
Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCCCc2ccccc2)[C@H]1Cc4ccc5O |r|
Show InChI InChI=1S/C27H31NO4/c1-25-22(30)12-13-27(31-16-6-9-18-7-4-3-5-8-18)21-17-19-10-11-20(29)24(32-25)23(19)26(25,27)14-15-28(21)2/h3-5,7-8,10-11,21,29H,6,9,12-17H2,1-2H3/t21-,25+,26+,27-/m1/s1
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0.540n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50336601
PNG
(CHEMBL3216476 | [[17-Cyclopropylmethyl-4,5alpha-ep...)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CC[C@@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O |r,TLB:12:11:19:6.7.8|
Show InChI InChI=1S/C31H38N2O5/c34-24-11-10-22-17-25-31(37-16-4-7-20-5-2-1-3-6-20)13-12-23(32-18-26(35)36)29-30(31,27(22)28(24)38-29)14-15-33(25)19-21-8-9-21/h1-3,5-6,10-11,21,23,25,29,32,34H,4,7-9,12-19H2,(H,35,36)/t23-,25-,29+,30+,31-/m1/s1
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0.640n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50336600
PNG
(CHEMBL3216936 | [[17-Cyclopropylmethyl-4,5alpha-ep...)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(CC[C@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O |r,TLB:12:11:19:6.7.8|
Show InChI InChI=1S/C31H38N2O5/c34-24-11-10-22-17-25-31(37-16-4-7-20-5-2-1-3-6-20)13-12-23(32-18-26(35)36)29-30(31,27(22)28(24)38-29)14-15-33(25)19-21-8-9-21/h1-3,5-6,10-11,21,23,25,29,32,34H,4,7-9,12-19H2,(H,35,36)/t23-,25+,29-,30-,31+/m0/s1
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0.650n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50336597
PNG
(CHEMBL3216475 | [[4,5alpha-Epoxy-3-hydroxy-17-meth...)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O |r,TLB:12:11:16:6.7.8|
Show InChI InChI=1S/C28H34N2O5/c1-30-14-13-27-24-19-9-10-21(31)25(24)35-26(27)20(29-17-23(32)33)11-12-28(27,22(30)16-19)34-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,20,22,26,29,31H,5,8,11-17H2,1H3,(H,32,33)/t20-,22-,26+,27+,28-/m1/s1
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0.730n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86444
PNG
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)
Show SMILES COC12CC[C@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21|
Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13+,15?,18+,20+,21?/m1/s1
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0.770n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86262
PNG
(HS-378 | HS378)
Show SMILES CCO[C@]12Cc3c([nH]c4ccccc34)[C@]3(C)Oc4c5c(CC1N(CC1CC1)CC[C@@]235)ccc4O |THB:30:19:3:28.27.22|
Show InChI InChI=1S/C29H32N2O3/c1-3-33-29-15-20-19-6-4-5-7-21(19)30-26(20)27(2)28(29)12-13-31(16-17-8-9-17)23(29)14-18-10-11-22(32)25(34-27)24(18)28/h4-7,10-11,17,23,30,32H,3,8-9,12-16H2,1-2H3/t23?,27-,28-,29+/m0/s1
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0.780n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50336596
PNG
(CHEMBL3216716 | [[4,5alpha-Epoxy-3-hydroxy-17-meth...)
Show SMILES Cl.Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CC[C@H]2NCC(O)=O)OCCCc1ccccc1)ccc3O |r,TLB:12:11:16:6.7.8|
Show InChI InChI=1S/C28H34N2O5/c1-30-14-13-27-24-19-9-10-21(31)25(24)35-26(27)20(29-17-23(32)33)11-12-28(27,22(30)16-19)34-15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,20,22,26,29,31H,5,8,11-17H2,1H3,(H,32,33)/t20-,22+,26-,27-,28+/m0/s1
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0.810n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50336593
PNG
(2-{[(1S,5R,13R,14R,17S)-10-hydroxy-17-methoxy-4-me...)
Show SMILES CO[C@]12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14-,18+,19+,20-/m1/s1
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0.830n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86442
PNG
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)
Show SMILES COC12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20|
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18+,19+,20?/m1/s1
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0.830n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50336592
PNG
(2-{[(1S,5R,13R,14S,17S)-10-hydroxy-17-methoxy-4-me...)
Show SMILES CO[C@]12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14+,18-,19-,20+/m0/s1
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0.890n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86448
PNG
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)
Show SMILES COC12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20|
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18-,19-,20?/m0/s1
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0.890n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86447
PNG
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)
Show SMILES COC12CC[C@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:30:22:2:25.28.27,20:21:2:25.28.27|
Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19+,21?,24-,26-,27?/m0/s1
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0.950n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50336595
PNG
(CHEMBL1672087 | tert-butyl 2-{[(1S,5R,13R,14R,17S)...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(CC[C@H]4NCC(=O)OC(C)(C)C)OCCCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C32H42N2O5/c1-30(2,3)39-26(36)20-33-23-14-15-32(37-18-8-11-21-9-6-5-7-10-21)25-19-22-12-13-24(35)28-27(22)31(32,29(23)38-28)16-17-34(25)4/h5-7,9-10,12-13,23,25,29,33,35H,8,11,14-20H2,1-4H3/t23-,25-,29+,31+,32-/m1/s1
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1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50336599
PNG
(CHEMBL1672091 | tert-butyl 2-{[(1S,5R,13R,14R,17S)...)
Show SMILES CC(C)(C)OC(=O)CN[C@@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C35H46N2O5/c1-33(2,3)42-29(39)21-36-26-15-16-35(40-19-7-10-23-8-5-4-6-9-23)28-20-25-13-14-27(38)31-30(25)34(35,32(26)41-31)17-18-37(28)22-24-11-12-24/h4-6,8-9,13-14,24,26,28,32,36,38H,7,10-12,15-22H2,1-3H3/t26-,28-,32+,34+,35-/m1/s1
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1n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86443
PNG
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)
Show SMILES COC12CC[C@@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:30:22:2:25.28.27,20:21:2:25.28.27|
Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19-,21?,24+,26+,27?/m1/s1
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1.03n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50336594
PNG
(CHEMBL1672086 | tert-butyl 2-{[(1S,5R,13R,14S,17S)...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(CC[C@@H]4NCC(=O)OC(C)(C)C)OCCCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C32H42N2O5/c1-30(2,3)39-26(36)20-33-23-14-15-32(37-18-8-11-21-9-6-5-7-10-21)25-19-22-12-13-24(35)28-27(22)31(32,29(23)38-28)16-17-34(25)4/h5-7,9-10,12-13,23,25,29,33,35H,8,11,14-20H2,1-4H3/t23-,25+,29-,31-,32+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50336598
PNG
(CHEMBL1672090 | tert-butyl 2-{[(1S,5R,13R,14S,17S)...)
Show SMILES CC(C)(C)OC(=O)CN[C@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C35H46N2O5/c1-33(2,3)42-29(39)21-36-26-15-16-35(40-19-7-10-23-8-5-4-6-9-23)28-20-25-13-14-27(38)31-30(25)34(35,32(26)41-31)17-18-37(28)22-24-11-12-24/h4-6,8-9,13-14,24,26,28,32,36,38H,7,10-12,15-22H2,1-3H3/t26-,28+,32-,34-,35+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50336594
PNG
(CHEMBL1672086 | tert-butyl 2-{[(1S,5R,13R,14S,17S)...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(CC[C@@H]4NCC(=O)OC(C)(C)C)OCCCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C32H42N2O5/c1-30(2,3)39-26(36)20-33-23-14-15-32(37-18-8-11-21-9-6-5-7-10-21)25-19-22-12-13-24(35)28-27(22)31(32,29(23)38-28)16-17-34(25)4/h5-7,9-10,12-13,23,25,29,33,35H,8,11,14-20H2,1-4H3/t23-,25+,29-,31-,32+/m0/s1
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1.40n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50336598
PNG
(CHEMBL1672090 | tert-butyl 2-{[(1S,5R,13R,14S,17S)...)
Show SMILES CC(C)(C)OC(=O)CN[C@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C35H46N2O5/c1-33(2,3)42-29(39)21-36-26-15-16-35(40-19-7-10-23-8-5-4-6-9-23)28-20-25-13-14-27(38)31-30(25)34(35,32(26)41-31)17-18-37(28)22-24-11-12-24/h4-6,8-9,13-14,24,26,28,32,36,38H,7,10-12,15-22H2,1-3H3/t26-,28+,32-,34-,35+/m0/s1
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1.5n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50336599
PNG
(CHEMBL1672091 | tert-butyl 2-{[(1S,5R,13R,14R,17S)...)
Show SMILES CC(C)(C)OC(=O)CN[C@@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r|
Show InChI InChI=1S/C35H46N2O5/c1-33(2,3)42-29(39)21-36-26-15-16-35(40-19-7-10-23-8-5-4-6-9-23)28-20-25-13-14-27(38)31-30(25)34(35,32(26)41-31)17-18-37(28)22-24-11-12-24/h4-6,8-9,13-14,24,26,28,32,36,38H,7,10-12,15-22H2,1-3H3/t26-,28-,32+,34+,35-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86445
PNG
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)
Show SMILES COC12CC[C@@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21|
Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13-,15?,18+,20+,21?/m1/s1
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1.90n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50336595
PNG
(CHEMBL1672087 | tert-butyl 2-{[(1S,5R,13R,14R,17S)...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(CC[C@H]4NCC(=O)OC(C)(C)C)OCCCc1ccccc1)ccc5O |r|
Show InChI InChI=1S/C32H42N2O5/c1-30(2,3)39-26(36)20-33-23-14-15-32(37-18-8-11-21-9-6-5-7-10-21)25-19-22-12-13-24(35)28-27(22)31(32,29(23)38-28)16-17-34(25)4/h5-7,9-10,12-13,23,25,29,33,35H,8,11,14-20H2,1-4H3/t23-,25-,29+,31+,32-/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86443
PNG
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)
Show SMILES COC12CC[C@@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:30:22:2:25.28.27,20:21:2:25.28.27|
Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19-,21?,24+,26+,27?/m1/s1
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2.58n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86446
PNG
(14-O-methyloxymorphone)
Show SMILES CCOC12CCC(=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:20:12:3:15.18.17,10:11:3:15.18.17|
Show InChI InChI=1S/C19H23NO4/c1-3-23-19-7-6-13(22)17-18(19)8-9-20(2)14(19)10-11-4-5-12(21)16(24-17)15(11)18/h4-5,14,17,21H,3,6-10H2,1-2H3/t14?,17-,18-,19?/m0/s1
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4.80n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM86258
PNG
(CAS_23552-18-3 | Morphine | NSC_5980)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
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6.55n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86445
PNG
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)
Show SMILES COC12CC[C@@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21|
Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13-,15?,18+,20+,21?/m1/s1
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7.71n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86442
PNG
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)
Show SMILES COC12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20|
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18+,19+,20?/m1/s1
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7.86n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86446
PNG
(14-O-methyloxymorphone)
Show SMILES CCOC12CCC(=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:20:12:3:15.18.17,10:11:3:15.18.17|
Show InChI InChI=1S/C19H23NO4/c1-3-23-19-7-6-13(22)17-18(19)8-9-20(2)14(19)10-11-4-5-12(21)16(24-17)15(11)18/h4-5,14,17,21H,3,6-10H2,1-2H3/t14?,17-,18-,19?/m0/s1
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10.2n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86261
PNG
(14-methoxymetopon | CAS_131575-03-6 | NSC_125489)
Show SMILES COC12CCC(=O)C3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:1:2:18.17.15:13.12.11,THB:3:2:18.17.15:13.12.11|
Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3
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13.3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86448
PNG
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)
Show SMILES COC12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20|
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18-,19-,20?/m0/s1
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15.4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM86261
PNG
(14-methoxymetopon | CAS_131575-03-6 | NSC_125489)
Show SMILES COC12CCC(=O)C3(C)Oc4c5c(CC1N(C)CCC235)ccc4O |TLB:1:2:18.17.15:13.12.11,THB:3:2:18.17.15:13.12.11|
Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3
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25.2n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM86444
PNG
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)
Show SMILES COC12CC[C@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21|
Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13+,15?,18+,20+,21?/m1/s1
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26.9n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM86447
PNG
((2S)-2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-1...)
Show SMILES COC12CC[C@H](N[C@H](Cc3ccccc3)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:30:22:2:25.28.27,20:21:2:25.28.27|
Show InChI InChI=1S/C27H32N2O5/c1-29-13-12-26-22-17-8-9-20(30)23(22)34-24(26)18(10-11-27(26,33-2)21(29)15-17)28-19(25(31)32)14-16-6-4-3-5-7-16/h3-9,18-19,21,24,28,30H,10-15H2,1-2H3,(H,31,32)/t18-,19+,21?,24-,26-,27?/m0/s1
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28.5n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50336592
PNG
(2-{[(1S,5R,13R,14S,17S)-10-hydroxy-17-methoxy-4-me...)
Show SMILES CO[C@]12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14+,18-,19-,20+/m0/s1
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43n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM86448
PNG
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)
Show SMILES COC12CC[C@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20|
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18-,19-,20?/m0/s1
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43.2n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM86442
PNG
(2-[(4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17-met...)
Show SMILES COC12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:23:15:2:18.21.20,13:14:2:18.21.20|
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14?,18+,19+,20?/m1/s1
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44.8n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50336593
PNG
(2-{[(1S,5R,13R,14R,17S)-10-hydroxy-17-methoxy-4-me...)
Show SMILES CO[C@]12CC[C@@H](NCC(O)=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C20H26N2O5/c1-22-8-7-19-16-11-3-4-13(23)17(16)27-18(19)12(21-10-15(24)25)5-6-20(19,26-2)14(22)9-11/h3-4,12,14,18,21,23H,5-10H2,1-2H3,(H,24,25)/t12-,14-,18+,19+,20-/m1/s1
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45n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM86445
PNG
((2S)-2-[4,5alpha-epoxy-3-hydroxy-14beta-methoxy-17...)
Show SMILES COC12CC[C@@H](N[C@H](C)C(O)=O)[C@@H]3Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |r,THB:24:16:2:19.22.21,14:15:2:19.22.21|
Show InChI InChI=1S/C21H28N2O5/c1-11(19(25)26)22-13-6-7-21(27-3)15-10-12-4-5-14(24)17-16(12)20(21,18(13)28-17)8-9-23(15)2/h4-5,11,13,15,18,22,24H,6-10H2,1-3H3,(H,25,26)/t11-,13-,15?,18+,20+,21?/m1/s1
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63.7n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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113n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting


J Med Chem 54: 980-8 (2011)


Article DOI: 10.1021/jm101211p
BindingDB Entry DOI: 10.7270/Q2MP53KV
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM86258
PNG
(CAS_23552-18-3 | Morphine | NSC_5980)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O |c:16,TLB:13:12:1.2.3:10.9.8|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
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113n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by PDSP Ki Database




Eur J Pharmacol 483: 301-8 (2004)


Article DOI: 10.1021/acschembio.6b00304
BindingDB Entry DOI: 10.7270/Q2TQ603X
More data for this
Ligand-Target Pair
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