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Compile Data Set for Download or QSAR

Found 1306 hits with Last Name = 'schmid' and Initial = 'h'   
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
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50170654
PNG
((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...)
Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r|
Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
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0.00500n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2912-2919 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.088
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50170654
PNG
((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...)
Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r|
Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
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0.0110n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2912-2919 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.088
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50240938
PNG
(CHEMBL4071862)
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0.0170n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL




J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50127165
PNG
(10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-o...)
Show SMILES CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17|
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/t13?,17-,18-,19+/m0/s1
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0.0230n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vitro binding affinity at opioid receptor mu 1 was determined in C6 rat glioma cells using [3H]DAMGO


J Med Chem 46: 1758-63 (2003)


Article DOI: 10.1021/jm021118o
BindingDB Entry DOI: 10.7270/Q2V125JQ
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50240954
PNG
(CHEMBL4101576)
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0.0400n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL




J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50250450
PNG
(CHEMBL4103328)
PDB

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0.0480n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL




J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50240970
PNG
(CHEMBL4092640)
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0.0610n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL




J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
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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0.0620n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
The ability of compound to inhibit [35S]GTP-delta-S binding in guinea pig caudate stimulated by SNC80 (Opioid receptor delta 1) antagonist


J Med Chem 45: 5378-83 (2002)


BindingDB Entry DOI: 10.7270/Q2R21244
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50240967
PNG
(CHEMBL4090181)
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0.0720n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL




J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50127167
PNG
(10-hydroxy-17-(3-phenylpropoxy)-4-tetrahydro-2-fur...)
Show SMILES Oc1ccc2CC3N(CC4CCCO4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:3:4:25:7.15.14,19:20:25:7.15.14|
Show InChI InChI=1S/C30H35NO5/c32-23-11-10-21-18-25-30(35-17-4-8-20-6-2-1-3-7-20)13-12-24(33)28-29(30,26(21)27(23)36-28)14-15-31(25)19-22-9-5-16-34-22/h1-3,6-7,10-11,22,25,28,32H,4-5,8-9,12-19H2/t22?,25?,28-,29-,30+/m0/s1
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0.0800n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vitro binding affinity at opioid receptor kappa 1 was determined in human CHO cells using [3H]U-69593


J Med Chem 46: 1758-63 (2003)


Article DOI: 10.1021/jm021118o
BindingDB Entry DOI: 10.7270/Q2V125JQ
More data for this
Ligand-Target Pair
Sigma-1 receptor


(Cavia porcellus (Guinea pig))
BDBM50170654
PNG
((+-)-cis-4-(3-(4-tert-butylphenyl)-2-methylpropyl)...)
Show SMILES CC(CN1C[C@H](C)O[C@H](C)C1)Cc1ccc(cc1)C(C)(C)C |r|
Show InChI InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+
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0.0800n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2912-2919 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.088
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
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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0.0900n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity towards Opioid receptor delta 1 in rat brain homogenates using [3H]DIDI as radioligand


Bioorg Med Chem Lett 7: 151-156 (1997)


Article DOI: 10.1016/S0960-894X(96)00599-9
BindingDB Entry DOI: 10.7270/Q2474BBD
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50127162
PNG
(10-hydroxy-17-(3-phenylpropoxy)-4-propyl-(13R,17S)...)
Show SMILES CCCN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCCCc1ccccc1)ccc5O |TLB:9:10:14:3.5.4,29:11:14:3.5.4|
Show InChI InChI=1S/C28H33NO4/c1-2-15-29-16-14-27-24-20-10-11-21(30)25(24)33-26(27)22(31)12-13-28(27,23(29)18-20)32-17-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-11,23,26,30H,2,6,9,12-18H2,1H3/t23?,26-,27-,28+/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vitro binding affinity at opioid receptor mu 1 was determined in C6 rat glioma cells using [3H]DAMGO


J Med Chem 46: 1758-63 (2003)


Article DOI: 10.1021/jm021118o
BindingDB Entry DOI: 10.7270/Q2V125JQ
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50127167
PNG
(10-hydroxy-17-(3-phenylpropoxy)-4-tetrahydro-2-fur...)
Show SMILES Oc1ccc2CC3N(CC4CCCO4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:3:4:25:7.15.14,19:20:25:7.15.14|
Show InChI InChI=1S/C30H35NO5/c32-23-11-10-21-18-25-30(35-17-4-8-20-6-2-1-3-7-20)13-12-24(33)28-29(30,26(21)27(23)36-28)14-15-31(25)19-22-9-5-16-34-22/h1-3,6-7,10-11,22,25,28,32H,4-5,8-9,12-19H2/t22?,25?,28-,29-,30+/m0/s1
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0.0900n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vitro binding affinity at opioid receptor delta 1 was determined in C6 rat glioma cells using [3H]Ile5,6 deltorphin II


J Med Chem 46: 1758-63 (2003)


Article DOI: 10.1021/jm021118o
BindingDB Entry DOI: 10.7270/Q2V125JQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM82552
PNG
(CAS_111555-58-9 | NTB | naltrindolebenzofuran)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1oc2ccccc2c1C[C@@]35O |r|
Show InChI InChI=1S/C26H25NO4/c28-18-8-7-15-11-20-26(29)12-17-16-3-1-2-4-19(16)30-22(17)24-25(26,21(15)23(18)31-24)9-10-27(20)13-14-5-6-14/h1-4,7-8,14,20,24,28-29H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50326663
PNG
(CHEMBL1255022)
Show SMILES CCO[C@]12CCC(=O)[C@]3(C)Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C20H25NO4/c1-4-24-20-8-7-15(23)18(2)19(20)9-10-21(3)14(20)11-12-5-6-13(22)17(25-18)16(12)19/h5-6,14,22H,4,7-11H2,1-3H3/t14-,18+,19+,20-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

Curated by ChEMBL


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


Bioorg Med Chem 18: 5071-80 (2010)


Article DOI: 10.1016/j.bmc.2010.05.071
BindingDB Entry DOI: 10.7270/Q2XP75XQ
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50326662
PNG
(10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...)
Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50127163
PNG
(4-allyl-10-hydroxy-17-(3-phenylpropoxy)-(13R,17S)-...)
Show SMILES Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:16:17:22:7.12.11,3:4:22:7.12.11|
Show InChI InChI=1S/C28H31NO4/c1-2-15-29-16-14-27-24-20-10-11-21(30)25(24)33-26(27)22(31)12-13-28(27,23(29)18-20)32-17-6-9-19-7-4-3-5-8-19/h2-5,7-8,10-11,23,26,30H,1,6,9,12-18H2/t23?,26-,27-,28+/m0/s1
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0.110n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vitro binding affinity at opioid receptor kappa 1 was determined in human CHO cells using [3H]U-69593


J Med Chem 46: 1758-63 (2003)


Article DOI: 10.1021/jm021118o
BindingDB Entry DOI: 10.7270/Q2V125JQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86667
PNG
(HS464)
Show SMILES CCO[C@]12Cc3c(nc4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |r,TLB:22:21:18.19.17:3,16:17:3:21.26.27,THB:2:3:18.19.17:21.26.27|
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0.110n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86661
PNG
(HS510A)
Show SMILES CCO[C@]12Cc3c(oc4ccccc34)C3Oc4c5c(CC1N(CC1CC1)CCC235)ccc4O |r,TLB:22:21:18.19.17:3,16:17:3:21.26.27,THB:2:3:18.19.17:21.26.27|
Show InChI InChI=1S/C28H29NO4/c1-2-31-28-14-19-18-5-3-4-6-21(18)32-24(19)26-27(28)11-12-29(15-16-7-8-16)22(28)13-17-9-10-20(30)25(33-26)23(17)27/h3-6,9-10,16,22,26,30H,2,7-8,11-15H2,1H3/t22?,26?,27?,28-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166216
PNG
(17-benzyloxy-10-hydroxy-4-methyl-(13R,17S)-12-oxa-...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1ccccc1)ccc5O |TLB:25:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C24H25NO4/c1-25-12-11-23-20-16-7-8-17(26)21(20)29-22(23)18(27)9-10-24(23,19(25)13-16)28-14-15-5-3-2-4-6-15/h2-8,19,22,26H,9-14H2,1H3/t19?,22-,23-,24+/m0/s1
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0.120n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50240955
PNG
(CHEMBL4083571)
PDB

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0.120n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL




J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50133226
PNG
(15-methoxy-3-methyl-19-(1-methylbutyl)-13-oxa-3-az...)
Show SMILES CCC[C@H](C)C1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5C[C@H]2N(C)CC[C@@]31c45 |wU:21.23,wD:13.14,26.30,7.7,10.11,3.3,c:8,(-6.72,-4.49,;-6.72,-3.27,;-7.83,-2.27,;-7.83,-.96,;-9.4,-.96,;-6.2,-.93,;-5.43,-2.25,;-3.89,-2.25,;-4.15,-.92,;-5.15,-.92,;-5.48,.41,;-6.13,1.56,;-7.77,1.56,;-3.91,.41,;-2.42,1.4,;-.81,.42,;.75,.42,;1.52,-.93,;.75,-2.25,;-.81,-2.25,;-1.6,-3.58,;-3.15,-3.58,;-3.75,-4.85,;-3.75,-6.7,;-2.31,-4.85,;-2.31,-2.04,;-3.17,-.92,;-1.6,-.92,)|
Show InChI InChI=1S/C25H33NO2/c1-5-7-16(2)18-15-23-10-11-25(18,27-4)22-24(23)12-13-26(3)20(23)14-17-8-6-9-19(28-22)21(17)24/h6,8-11,16,18,20,22H,5,7,12-15H2,1-4H3/t16-,18?,20+,22+,23+,24-,25+/m0/s1
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0.130n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand


J Med Chem 46: 4182-7 (2003)


Article DOI: 10.1021/jm030878b
BindingDB Entry DOI: 10.7270/Q22V2GVM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133224
PNG
(10-hydroxy-4,13-dimethyl-17-(3-phenylpropoxy)-12-o...)
Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4O)NC |c:12|
Show InChI InChI=1S/C28H33NO4/c1-4-15-27-24-20-12-13-21(30)25(24)33-26(27,2)23(31)14-16-28(27,22(18-20)29-3)32-17-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-14,16,22,29-30H,4,8,11,15,17-18H2,1-3H3/t22?,26-,27-,28+/m0/s1
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0.140n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 isolated from rat brain membarane was determined using [3H][Ile]-deltorphin as radioligand


J Med Chem 46: 4182-7 (2003)


Article DOI: 10.1021/jm030878b
BindingDB Entry DOI: 10.7270/Q22V2GVM
More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50240958
PNG
(CHEMBL4065350)
PDB

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0.140n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL




J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133227
PNG
(10,17-dimethoxy-4,13-dimethyl-12-oxa-4-azapentacyc...)
Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)CC[C@@]2(OC)C(Cc3ccc4OC)NC
Show InChI InChI=1S/C21H29NO4/c1-6-10-20-17-13-7-8-14(24-4)18(17)26-19(20,2)16(23)9-11-21(20,25-5)15(12-13)22-3/h7-8,15,22H,6,9-12H2,1-5H3/t15?,19-,20-,21+/m0/s1
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0.150n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand


J Med Chem 46: 4182-7 (2003)


Article DOI: 10.1021/jm030878b
BindingDB Entry DOI: 10.7270/Q22V2GVM
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 Neurosci 18: 290-5 (2003)


Article DOI: 10.1046/j.1460-9568.2003.02744.x
BindingDB Entry DOI: 10.7270/Q2P55M37
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))
BDBM50127165
PNG
(10-hydroxy-17-methoxy-4,13-dimethyl-(13R,17S)-12-o...)
Show SMILES CO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(C)CC[C@@]235)ccc4O |THB:10:11:2:15.18.17,20:12:2:15.18.17|
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/t13?,17-,18-,19+/m0/s1
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0.150n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166212
PNG
(17-ethoxy-10-hydroxy-13-methyl-4-phenethyl-(13R,17...)
Show SMILES CCO[C@]12CCC(=O)[C@]3(C)Oc4c5c(CC1N(CCc1ccccc1)CC[C@@]235)ccc4O |THB:11:12:3:16.26.25,28:13:3:16.26.25|
Show InChI InChI=1S/C27H31NO4/c1-3-31-27-13-11-22(30)25(2)26(27)14-16-28(15-12-18-7-5-4-6-8-18)21(27)17-19-9-10-20(29)24(32-25)23(19)26/h4-10,21,29H,3,11-17H2,1-2H3/t21?,25-,26-,27+/m0/s1
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0.160n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
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))
BDBM50166215
PNG
(17-benzyloxy-10-hydroxy-4,13-dimethyl-(13R,17S)-12...)
Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(OCc2ccccc2)C1Cc4ccc5O |TLB:26:25:14:1.3.2,6:5:14:1.3.2|
Show InChI InChI=1S/C25H27NO4/c1-23-20(28)10-11-25(29-15-16-6-4-3-5-7-16)19-14-17-8-9-18(27)22(30-23)21(17)24(23,25)12-13-26(19)2/h3-9,19,27H,10-15H2,1-2H3/t19?,23-,24-,25+/m0/s1
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0.180n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50367123
PNG
(ETORPHINE | M99)
Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O |c:9,TLB:3:6:9.10:24.13,THB:7:8:16.17.18:20.23.22,9:8:16.17.18:20.23.22|
Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor kappa 1 isolated from rat brain membarane was determined using [3H]U-69593 as radioligand


J Med Chem 46: 4182-7 (2003)


Article DOI: 10.1021/jm030878b
BindingDB Entry DOI: 10.7270/Q22V2GVM
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50166214
PNG
(10-hydroxy-4-methyl-17-(1-naphthylmethoxy)-(13R,17...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)OCc1cccc2ccccc12)ccc5O |TLB:29:9:12:1.3.2,7:8:12:1.3.2|
Show InChI InChI=1S/C28H27NO4/c1-29-14-13-27-24-18-9-10-21(30)25(24)33-26(27)22(31)11-12-28(27,23(29)15-18)32-16-19-7-4-6-17-5-2-3-8-20(17)19/h2-10,23,26,30H,11-16H2,1H3/t23?,26-,27-,28+/m0/s1
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0.180n/an/an/an/an/an/an/an/a



University La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to opioid receptor mu from rat brain membranes


J Med Chem 48: 3372-8 (2005)


Article DOI: 10.1021/jm040894o
BindingDB Entry DOI: 10.7270/Q2X92C3R
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50133226
PNG
(15-methoxy-3-methyl-19-(1-methylbutyl)-13-oxa-3-az...)
Show SMILES CCC[C@H](C)C1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5C[C@H]2N(C)CC[C@@]31c45 |wU:21.23,wD:13.14,26.30,7.7,10.11,3.3,c:8,(-6.72,-4.49,;-6.72,-3.27,;-7.83,-2.27,;-7.83,-.96,;-9.4,-.96,;-6.2,-.93,;-5.43,-2.25,;-3.89,-2.25,;-4.15,-.92,;-5.15,-.92,;-5.48,.41,;-6.13,1.56,;-7.77,1.56,;-3.91,.41,;-2.42,1.4,;-.81,.42,;.75,.42,;1.52,-.93,;.75,-2.25,;-.81,-2.25,;-1.6,-3.58,;-3.15,-3.58,;-3.75,-4.85,;-3.75,-6.7,;-2.31,-4.85,;-2.31,-2.04,;-3.17,-.92,;-1.6,-.92,)|
Show InChI InChI=1S/C25H33NO2/c1-5-7-16(2)18-15-23-10-11-25(18,27-4)22-24(23)12-13-26(3)20(23)14-17-8-6-9-19(28-22)21(17)24/h6,8-11,16,18,20,22H,5,7,12-15H2,1-4H3/t16-,18?,20+,22+,23+,24-,25+/m0/s1
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0.190n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand


J Med Chem 46: 4182-7 (2003)


Article DOI: 10.1021/jm030878b
BindingDB Entry DOI: 10.7270/Q22V2GVM
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))
BDBM50133224
PNG
(10-hydroxy-4,13-dimethyl-17-(3-phenylpropoxy)-12-o...)
Show SMILES CCC[C@]12c3c4O[C@@]1(C)C(=O)C=C[C@@]2(OCCCc1ccccc1)C(Cc3ccc4O)NC |c:12|
Show InChI InChI=1S/C28H33NO4/c1-4-15-27-24-20-12-13-21(30)25(24)33-26(27,2)23(31)14-16-28(27,22(18-20)29-3)32-17-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-14,16,22,29-30H,4,8,11,15,17-18H2,1-3H3/t22?,26-,27-,28+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand


J Med Chem 46: 4182-7 (2003)


Article DOI: 10.1021/jm030878b
BindingDB Entry DOI: 10.7270/Q22V2GVM
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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/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]U69,593 from human kappa opioid receptor expressed in CHO cell membranes incubated for 60 mins by liquid scintillation counting


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50133226
PNG
(15-methoxy-3-methyl-19-(1-methylbutyl)-13-oxa-3-az...)
Show SMILES CCC[C@H](C)C1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5C[C@H]2N(C)CC[C@@]31c45 |wU:21.23,wD:13.14,26.30,7.7,10.11,3.3,c:8,(-6.72,-4.49,;-6.72,-3.27,;-7.83,-2.27,;-7.83,-.96,;-9.4,-.96,;-6.2,-.93,;-5.43,-2.25,;-3.89,-2.25,;-4.15,-.92,;-5.15,-.92,;-5.48,.41,;-6.13,1.56,;-7.77,1.56,;-3.91,.41,;-2.42,1.4,;-.81,.42,;.75,.42,;1.52,-.93,;.75,-2.25,;-.81,-2.25,;-1.6,-3.58,;-3.15,-3.58,;-3.75,-4.85,;-3.75,-6.7,;-2.31,-4.85,;-2.31,-2.04,;-3.17,-.92,;-1.6,-.92,)|
Show InChI InChI=1S/C25H33NO2/c1-5-7-16(2)18-15-23-10-11-25(18,27-4)22-24(23)12-13-26(3)20(23)14-17-8-6-9-19(28-22)21(17)24/h6,8-11,16,18,20,22H,5,7,12-15H2,1-4H3/t16-,18?,20+,22+,23+,24-,25+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 isolated from rat brain membarane was determined using [3H][Ile]-deltorphin as radioligand


J Med Chem 46: 4182-7 (2003)


Article DOI: 10.1021/jm030878b
BindingDB Entry DOI: 10.7270/Q22V2GVM
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50127163
PNG
(4-allyl-10-hydroxy-17-(3-phenylpropoxy)-(13R,17S)-...)
Show SMILES Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:16:17:22:7.12.11,3:4:22:7.12.11|
Show InChI InChI=1S/C28H31NO4/c1-2-15-29-16-14-27-24-20-10-11-21(30)25(24)33-26(27)22(31)12-13-28(27,23(29)18-20)32-17-6-9-19-7-4-3-5-8-19/h2-5,7-8,10-11,23,26,30H,1,6,9,12-18H2/t23?,26-,27-,28+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vitro binding affinity at opioid receptor mu 1 was determined in C6 rat glioma cells using [3H]DAMGO


J Med Chem 46: 1758-63 (2003)


Article DOI: 10.1021/jm021118o
BindingDB Entry DOI: 10.7270/Q2V125JQ
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))
BDBM50127167
PNG
(10-hydroxy-17-(3-phenylpropoxy)-4-tetrahydro-2-fur...)
Show SMILES Oc1ccc2CC3N(CC4CCCO4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:3:4:25:7.15.14,19:20:25:7.15.14|
Show InChI InChI=1S/C30H35NO5/c32-23-11-10-21-18-25-30(35-17-4-8-20-6-2-1-3-7-20)13-12-24(33)28-29(30,26(21)27(23)36-28)14-15-31(25)19-22-9-5-16-34-22/h1-3,6-7,10-11,22,25,28,32H,4-5,8-9,12-19H2/t22?,25?,28-,29-,30+/m0/s1
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0.200n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vitro binding affinity at opioid receptor mu 1 was determined in C6 rat glioma cells using [3H]DAMGO


J Med Chem 46: 1758-63 (2003)


Article DOI: 10.1021/jm021118o
BindingDB Entry DOI: 10.7270/Q2V125JQ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM86663
PNG
(CAS_0 | HS595 | NSC_0)
Show SMILES COc1c2O[C@@]3(C)c4oc5ccccc5c4C[C@@]4(O)C5Cc(cc1O)c2C34CCN5CC1CC1 |r,TLB:30:29:21.20.25:17,3:25:17:29.28.27,THB:18:17:21.20.25:29.28.27|
Show InChI InChI=1S/C28H29NO5/c1-26-25-18(17-5-3-4-6-20(17)33-25)13-28(31)21-12-16-11-19(30)23(32-2)24(34-26)22(16)27(26,28)9-10-29(21)14-15-7-8-15/h3-6,11,15,21,30-31H,7-10,12-14H2,1-2H3/t21?,26-,27?,28+/m0/s1
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0.220n/an/an/an/an/an/an/an/a



I.G.B.M.C.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 410-21 (2005)


Article DOI: 10.1124/jpet.104.077321
BindingDB Entry DOI: 10.7270/Q2XD107N
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50250449
PNG
(CHEMBL4065490)
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0.240n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL




J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50127170
PNG
(4-cyclobutylmethyl-10-hydroxy-17-(3-phenylpropoxy)...)
Show SMILES Oc1ccc2CC3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:3:4:24:7.14.13,18:19:24:7.14.13|
Show InChI InChI=1S/C30H35NO4/c32-23-12-11-22-18-25-30(34-17-5-10-20-6-2-1-3-7-20)14-13-24(33)28-29(30,26(22)27(23)35-28)15-16-31(25)19-21-8-4-9-21/h1-3,6-7,11-12,21,25,28,32H,4-5,8-10,13-19H2/t25?,28-,29-,30+/m0/s1
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0.25n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vitro binding affinity at opioid receptor mu 1 was determined in C6 rat glioma cells using [3H]DAMGO


J Med Chem 46: 1758-63 (2003)


Article DOI: 10.1021/jm021118o
BindingDB Entry DOI: 10.7270/Q2V125JQ
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50142700
PNG
(CHEMBL326684)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)C(=O)CC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:23:22:16:2.3.24|
Show InChI InChI=1/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/t13-,17+,18+,19-/s2
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0.25n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL




J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50367123
PNG
(ETORPHINE | M99)
Show SMILES CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@]1(O)[C@@H]1Oc4c5c(C[C@H]2N(C)CC[C@@]315)ccc4O |c:9,TLB:3:6:9.10:24.13,THB:7:8:16.17.18:20.23.22,9:8:16.17.18:20.23.22|
Show InChI InChI=1S/C24H31NO4/c1-4-7-21(2,27)16-13-22-8-9-24(16,28)20-23(22)10-11-25(3)17(22)12-14-5-6-15(26)19(29-20)18(14)23/h5-6,8-9,16-17,20,26-28H,4,7,10-13H2,1-3H3/t16-,17-,20-,21+,22-,23+,24-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 isolated from rat brain membarane was determined using [3H]DAMGO as radioligand


J Med Chem 46: 4182-7 (2003)


Article DOI: 10.1021/jm030878b
BindingDB Entry DOI: 10.7270/Q22V2GVM
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50127163
PNG
(4-allyl-10-hydroxy-17-(3-phenylpropoxy)-(13R,17S)-...)
Show SMILES Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:16:17:22:7.12.11,3:4:22:7.12.11|
Show InChI InChI=1S/C28H31NO4/c1-2-15-29-16-14-27-24-20-10-11-21(30)25(24)33-26(27)22(31)12-13-28(27,23(29)18-20)32-17-6-9-19-7-4-3-5-8-19/h2-5,7-8,10-11,23,26,30H,1,6,9,12-18H2/t23?,26-,27-,28+/m0/s1
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0.260n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vitro binding affinity at opioid receptor delta 1 was determined in C6 rat glioma cells using [3H]Ile5,6 deltorphin II


J Med Chem 46: 1758-63 (2003)


Article DOI: 10.1021/jm021118o
BindingDB Entry DOI: 10.7270/Q2V125JQ
More data for this
Ligand-Target Pair
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