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PubMed code 12825951

Compile data set for download or QSAR
Found 54 hits of Enzyme Inhibition Constant Data   
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


(Cavia porcellus (domestic guinea pig))
BDBM50026614
PNG
(CHEMBL575508)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r|
Show InChI InChI=1/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/s2
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0.0530n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027039
PNG
(5''-Guanidinonaltrindole | 5''-Guanidinylnaltrindo...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1
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0.180n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-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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0.200n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.410n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027052
PNG
(CHEMBL2112473)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H41N3O2/c1-19(2)27(30-16-24-12-21-8-9-26(33)13-22(21)15-29-24)18-31-11-10-28(4,20(3)17-31)23-6-5-7-25(32)14-23/h5-9,13-14,19-20,24,27,29-30,32-33H,10-12,15-18H2,1-4H3/t20-,24+,27+,28+/m0/s1
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0.630n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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0.960n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50026614
PNG
(CHEMBL575508)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r|
Show InChI InChI=1/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/s2
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1n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
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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1.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027052
PNG
(CHEMBL2112473)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H41N3O2/c1-19(2)27(30-16-24-12-21-8-9-26(33)13-22(21)15-29-24)18-31-11-10-28(4,20(3)17-31)23-6-5-7-25(32)14-23/h5-9,13-14,19-20,24,27,29-30,32-33H,10-12,15-18H2,1-4H3/t20-,24+,27+,28+/m0/s1
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1.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130561
PNG
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50130561
PNG
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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3.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027052
PNG
(CHEMBL2112473)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H41N3O2/c1-19(2)27(30-16-24-12-21-8-9-26(33)13-22(21)15-29-24)18-31-11-10-28(4,20(3)17-31)23-6-5-7-25(32)14-23/h5-9,13-14,19-20,24,27,29-30,32-33H,10-12,15-18H2,1-4H3/t20-,24+,27+,28+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50102710
PNG
(3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1
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3.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
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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5.70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor delta 1 using [3H]Cl-DPDPE


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50026614
PNG
(CHEMBL575508)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r|
Show InChI InChI=1/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/s2
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PubMed
8.90n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50130564
PNG
(7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carbox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25-,26+,28+/m0/s1
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9.80n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50027038
PNG
(CHEMBL2112474)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C
Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1
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13n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50027038
PNG
(CHEMBL2112474)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C
Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1
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16n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027038
PNG
(CHEMBL2112474)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C
Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1
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16n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027048
PNG
(CHEMBL2112475)
Show SMILES CC(C)[C@@H](CN1CC[C@@](C)([C@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25-,26-,28+/m1/s1
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18n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027053
PNG
(CHEMBL2111681)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H39N3O3/c1-18(2)25(29-26(33)24(28)14-20-8-10-22(31)11-9-20)17-30-13-12-27(4,19(3)16-30)21-6-5-7-23(32)15-21/h5-11,15,18-19,24-25,31-32H,12-14,16-17,28H2,1-4H3,(H,29,33)/t19-,24-,25+,27+/m0/s1
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20n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Mu-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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21n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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30n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor delta 1 using [3H]Cl-DPDPE


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50130561
PNG
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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33n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGO


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50026614
PNG
(CHEMBL575508)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r|
Show InChI InChI=1/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/s2
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37n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027039
PNG
(5''-Guanidinonaltrindole | 5''-Guanidinylnaltrindo...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1
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37n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
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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65n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027039
PNG
(5''-Guanidinonaltrindole | 5''-Guanidinylnaltrindo...)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=N)cc12)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C27H29N5O3/c28-25(29)30-15-4-5-18-16(10-15)17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,24(35-23)22(17)31-18)7-8-32(20)12-13-1-2-13/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30)/t20-,24+,26+,27-/m1/s1
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70n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027052
PNG
(CHEMBL2112473)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H41N3O2/c1-19(2)27(30-16-24-12-21-8-9-26(33)13-22(21)15-29-24)18-31-11-10-28(4,20(3)17-31)23-6-5-7-25(32)14-23/h5-9,13-14,19-20,24,27,29-30,32-33H,10-12,15-18H2,1-4H3/t20-,24+,27+,28+/m0/s1
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84n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor delta 1 using [3H]Cl-DPDPE


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
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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86n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027052
PNG
(CHEMBL2112473)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H41N3O2/c1-19(2)27(30-16-24-12-21-8-9-26(33)13-22(21)15-29-24)18-31-11-10-28(4,20(3)17-31)23-6-5-7-25(32)14-23/h5-9,13-14,19-20,24,27,29-30,32-33H,10-12,15-18H2,1-4H3/t20-,24+,27+,28+/m0/s1
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107n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50026614
PNG
(CHEMBL575508)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r|
Show InChI InChI=1/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/s2
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118n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor delta 1 using [3H]Cl-DPDPE


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027048
PNG
(CHEMBL2112475)
Show SMILES CC(C)[C@@H](CN1CC[C@@](C)([C@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25-,26-,28+/m1/s1
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138n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027048
PNG
(CHEMBL2112475)
Show SMILES CC(C)[C@@H](CN1CC[C@@](C)([C@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25-,26-,28+/m1/s1
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144n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50027051
PNG
(CHEMBL2112472)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(C)=O
Show InChI InChI=1S/C30H41N3O4/c1-19(2)27(18-32-12-11-30(5,20(3)16-32)24-7-6-8-25(35)15-24)31-29(37)28-14-22-9-10-26(36)13-23(22)17-33(28)21(4)34/h6-10,13,15,19-20,27-28,35-36H,11-12,14,16-18H2,1-5H3,(H,31,37)/t20-,27+,28+,30+/m0/s1
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146n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brain


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027038
PNG
(CHEMBL2112474)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C
Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1
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164n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50102710
PNG
(3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1
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171n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027038
PNG
(CHEMBL2112474)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C
Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1
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175n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor delta 1 using [3H]Cl-DPDPE


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027053
PNG
(CHEMBL2111681)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H39N3O3/c1-18(2)25(29-26(33)24(28)14-20-8-10-22(31)11-9-20)17-30-13-12-27(4,19(3)16-30)21-6-5-7-23(32)15-21/h5-11,15,18-19,24-25,31-32H,12-14,16-17,28H2,1-4H3,(H,29,33)/t19-,24-,25+,27+/m0/s1
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208n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50130563
PNG
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r|
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1
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301n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50130564
PNG
(7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carbox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25-,26+,28+/m0/s1
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596n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50026614
PNG
(CHEMBL575508)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C |r|
Show InChI InChI=1/C29H41N3O3/c1-19(2)26(30-28(35)27-14-21-9-10-25(34)13-22(21)17-31(27)5)18-32-12-11-29(4,20(3)16-32)23-7-6-8-24(33)15-23/h6-10,13,15,19-20,26-27,33-34H,11-12,14,16-18H2,1-5H3,(H,30,35)/t20-,26+,27+,29+/s2
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616n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50027051
PNG
(CHEMBL2112472)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(C)=O
Show InChI InChI=1S/C30H41N3O4/c1-19(2)27(18-32-12-11-30(5,20(3)16-32)24-7-6-8-25(35)15-24)31-29(37)28-14-22-9-10-26(36)13-23(22)17-33(28)21(4)34/h6-10,13,15,19-20,27-28,35-36H,11-12,14,16-18H2,1-5H3,(H,31,37)/t20-,27+,28+,30+/m0/s1
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764n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50130561
PNG
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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775n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50130561
PNG
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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1.09E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned Opioid receptor delta 1 using [3H]Cl-DPDPE


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50102710
PNG
(3-(4-Hydroxy-phenyl)-N-{(S)-1-[(3R,4R)-4-(3-hydrox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)CCc1ccc(O)cc1
Show InChI InChI=1S/C27H38N2O3/c1-19(2)25(28-26(32)13-10-21-8-11-23(30)12-9-21)18-29-15-14-27(4,20(3)17-29)22-6-5-7-24(31)16-22/h5-9,11-12,16,19-20,25,30-31H,10,13-15,17-18H2,1-4H3,(H,28,32)/t20-,25+,27+/m0/s1
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>3.40E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027038
PNG
(CHEMBL2112474)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)CN(C)C
Show InChI InChI=1S/C32H46N4O4/c1-21(2)28(19-35-13-12-32(4,22(3)17-35)25-8-7-9-26(37)16-25)33-31(40)29-15-23-10-11-27(38)14-24(23)18-36(29)30(39)20-34(5)6/h7-11,14,16,21-22,28-29,37-38H,12-13,15,17-20H2,1-6H3,(H,33,40)/t22-,28+,29+,32+/m0/s1
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>3.40E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50130561
PNG
((R)-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dime...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccccc2CN1
Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-14-21-8-5-6-9-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-10-7-11-24(32)15-23/h5-11,15,19-20,25-26,29,32H,12-14,16-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1
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>4.90E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027052
PNG
(CHEMBL2112473)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC[C@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H41N3O2/c1-19(2)27(30-16-24-12-21-8-9-26(33)13-22(21)15-29-24)18-31-11-10-28(4,20(3)17-31)23-6-5-7-25(32)14-23/h5-9,13-14,19-20,24,27,29-30,32-33H,10-12,15-18H2,1-4H3/t20-,24+,27+,28+/m0/s1
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>4.90E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50130564
PNG
(7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carbox...)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H]1Cc2ccc(O)cc2CN1
Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25-,26+,28+/m0/s1
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>4.90E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027051
PNG
(CHEMBL2112472)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1C(C)=O
Show InChI InChI=1S/C30H41N3O4/c1-19(2)27(18-32-12-11-30(5,20(3)16-32)24-7-6-8-25(35)15-24)31-29(37)28-14-22-9-10-26(36)13-23(22)17-33(28)21(4)34/h6-10,13,15,19-20,27-28,35-36H,11-12,14,16-18H2,1-5H3,(H,31,37)/t20-,27+,28+,30+/m0/s1
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UniChem
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>4.90E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50027053
PNG
(CHEMBL2111681)
Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H39N3O3/c1-18(2)25(29-26(33)24(28)14-20-8-10-22(31)11-9-20)17-30-13-12-27(4,19(3)16-30)21-6-5-7-23(32)15-21/h5-11,15,18-19,24-25,31-32H,12-14,16-17,28H2,1-4H3,(H,29,33)/t19-,24-,25+,27+/m0/s1
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>5.05E+3n/an/an/an/an/an/an/an/a



Research Triangle Institute

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissue


J Med Chem 46: 3127-37 (2003)


Article DOI: 10.1021/jm030094y
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%