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PubMed code 26713104

Compile data set for download or QSAR
Found 24 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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50148869
PNG
(CHEMBL3770643)
Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/s2
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0.470n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50148910
PNG
(CHEMBL3770668)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/s2
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1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50148909
PNG
(CHEMBL3770677)
Show SMILES Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r|
Show InChI InChI=1/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/s2
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6.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50148868
PNG
(CHEMBL3770024)
Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/s2
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18n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50148869
PNG
(CHEMBL3770643)
Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/s2
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35n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50148869
PNG
(CHEMBL3770643)
Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/s2
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37n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50148910
PNG
(CHEMBL3770668)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/s2
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42n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50148910
PNG
(CHEMBL3770668)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/s2
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96n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50148868
PNG
(CHEMBL3770024)
Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/s2
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130n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50148909
PNG
(CHEMBL3770677)
Show SMILES Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r|
Show InChI InChI=1/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/s2
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390n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50148912
PNG
(CHEMBL3770284)
Show SMILES N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C29H29N3O2/c30-25(18-21-9-11-22-7-4-8-28(33)23(22)16-21)29(34)32-27-13-14-31-26-12-10-20(17-24(26)27)15-19-5-2-1-3-6-19/h1-12,16-17,25,27,31,33H,13-15,18,30H2,(H,32,34)/t25-,27+/s2
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440n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat MOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50148868
PNG
(CHEMBL3770024)
Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/s2
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660n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50148909
PNG
(CHEMBL3770677)
Show SMILES Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r|
Show InChI InChI=1/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/s2
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730n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50148912
PNG
(CHEMBL3770284)
Show SMILES N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C29H29N3O2/c30-25(18-21-9-11-22-7-4-8-28(33)23(22)16-21)29(34)32-27-13-14-31-26-12-10-20(17-24(26)27)15-19-5-2-1-3-6-19/h1-12,16-17,25,27,31,33H,13-15,18,30H2,(H,32,34)/t25-,27+/s2
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1.60E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from rat DOR expressed in rat C6 cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50148912
PNG
(CHEMBL3770284)
Show SMILES N[C@@H](Cc1ccc2cccc(O)c2c1)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C29H29N3O2/c30-25(18-21-9-11-22-7-4-8-28(33)23(22)16-21)29(34)32-27-13-14-31-26-12-10-20(17-24(26)27)15-19-5-2-1-3-6-19/h1-12,16-17,25,27,31,33H,13-15,18,30H2,(H,32,34)/t25-,27+/s2
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2.50E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50148868
PNG
(CHEMBL3770024)
Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/s2
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n/an/an/an/a 4.80E+3n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50148909
PNG
(CHEMBL3770677)
Show SMILES Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r|
Show InChI InChI=1/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/s2
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n/an/an/an/a 5.90E+3n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat DOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50148910
PNG
(CHEMBL3770668)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/s2
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n/an/an/an/a 2.40E+3n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50148869
PNG
(CHEMBL3770643)
Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/s2
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n/an/an/an/a 33n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat MOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50148909
PNG
(CHEMBL3770677)
Show SMILES Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r|
Show InChI InChI=1/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/s2
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n/an/an/an/a 370n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50148910
PNG
(CHEMBL3770668)
Show SMILES Cc1cc(O)ccc1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C26H29N3O2/c1-17-13-21(30)9-8-20(17)16-23(27)26(31)29-25-11-12-28-24-10-7-19(15-22(24)25)14-18-5-3-2-4-6-18/h2-10,13,15,23,25,28,30H,11-12,14,16,27H2,1H3,(H,29,31)/t23-,25+/s2
PDB

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PC sid
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n/an/an/an/a 44n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat MOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50148868
PNG
(CHEMBL3770024)
Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/s2
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n/an/an/an/a 280n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat MOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50148909
PNG
(CHEMBL3770677)
Show SMILES Cc1cc(C[C@H](N)C(=O)N[C@@H]2CCNc3ccc(Cc4ccccc4)cc23)c(C)cc1O |r|
Show InChI InChI=1/C27H31N3O2/c1-17-13-26(31)18(2)12-21(17)16-23(28)27(32)30-25-10-11-29-24-9-8-20(15-22(24)25)14-19-6-4-3-5-7-19/h3-9,12-13,15,23,25,29,31H,10-11,14,16,28H2,1-2H3,(H,30,32)/t23-,25+/s2
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n/an/an/an/a 39n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at rat MOR expressed in rat C6 cells after 1 hr by [35S]GTPgammaS binding assay


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50148869
PNG
(CHEMBL3770643)
Show SMILES N[C@@H](Cc1c(Cl)cc(O)cc1Cl)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1/C25H25Cl2N3O2/c26-20-12-17(31)13-21(27)18(20)14-22(28)25(32)30-24-8-9-29-23-7-6-16(11-19(23)24)10-15-4-2-1-3-5-15/h1-7,11-13,22,24,29,31H,8-10,14,28H2,(H,30,32)/t22-,24+/s2
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay


ACS Med Chem Lett 6: 1199-203 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%