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PubMed code 21978284

Compile data set for download or QSAR
Found 42 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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
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5n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
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15n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354650
PNG
(CHEMBL1834247)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22+/m1/s1
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18n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O |r|
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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60n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O |r|
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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130n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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160n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354650
PNG
(CHEMBL1834247)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22+/m1/s1
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170n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50376594
PNG
(CHEMBL260120)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
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1.10E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human MOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50376594
PNG
(CHEMBL260120)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O |r|
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50354650
PNG
(CHEMBL1834247)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22+/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50376594
PNG
(CHEMBL260120)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
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Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in HEK293 cell membrane by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O |r|
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from MOR in rat brain homogenates by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
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n/an/a 0.950n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from MOR in rat brain homogenates by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
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n/an/a 0.950n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from DOR in rat brain homogenates by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O |r|
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from DOR in rat brain homogenates by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50376594
PNG
(CHEMBL260120)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from DOR in rat brain homogenates by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin2 from DOR in rat brain homogenates by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from MOR in rat brain homogenates by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50376594
PNG
(CHEMBL260120)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from MOR in rat brain homogenates by liquid scintillation counting


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50376594
PNG
(CHEMBL260120)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
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n/an/an/an/a 1.06E+3n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse spinal cord assessed as reduction in spinal cord network activity by electrophysiology assay


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50376594
PNG
(CHEMBL260120)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse frontal cortex assessed as reduction in spinal cord network activity by electrophysiology assay


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50354650
PNG
(CHEMBL1834247)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22+/m1/s1
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n/an/an/an/a 0.170n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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n/an/an/an/a 3.20n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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n/an/an/an/a 5.70n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse frontal cortex assessed as reduction in spinal cord network activity by electrophysiology assay


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
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n/an/an/an/a 1.60n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse frontal cortex assessed as reduction in spinal cord network activity by electrophysiology assay


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50354650
PNG
(CHEMBL1834247)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C26H33N5O5/c1-14-8-19(32)9-15(2)20(14)11-21(27)25(35)29-16(3)24(34)30-22-10-17-6-4-5-7-18(17)12-31(26(22)36)13-23(28)33/h4-9,16,21-22,32H,10-13,27H2,1-3H3,(H2,28,33)(H,29,35)(H,30,34)/t16-,21+,22+/m1/s1
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n/an/an/an/a 0.0832n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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n/an/an/an/a 6.70n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse spinal cord assessed as reduction in spinal cord network activity by electrophysiology assay


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O |r|
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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n/an/an/an/a 2.90n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse spinal cord assessed as reduction in spinal cord network activity by electrophysiology assay


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O |r|
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse frontal cortex assessed as reduction in spinal cord network activity by electrophysiology assay


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50376594
PNG
(CHEMBL260120)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
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n/an/an/an/a 960n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
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n/an/an/an/a 0.0160n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O |r|
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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n/an/an/an/a 0.0790n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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n/an/an/an/a 0.140n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50376594
PNG
(CHEMBL260120)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O
Show InChI InChI=1S/C25H33N5O5/c1-16(30(3)24(34)20(26)13-18-9-11-19(31)12-10-18)23(33)28-21(14-17-7-5-4-6-8-17)25(35)29(2)15-22(27)32/h4-12,16,20-21,31H,13-15,26H2,1-3H3,(H2,27,32)(H,28,33)/t16-,20+,21+/m1/s1
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n/an/an/an/a 3.30n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50376593
PNG
(CHEMBL409225 | SB-0304)
Show SMILES C[C@@H](N1Cc2cc(O)ccc2C[C@H](N)C1=O)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O
Show InChI InChI=1S/C25H29N5O5/c1-14(30-12-18-8-19(31)7-6-16(18)9-20(26)24(30)34)23(33)28-21-10-15-4-2-3-5-17(15)11-29(25(21)35)13-22(27)32/h2-8,14,20-21,31H,9-13,26H2,1H3,(H2,27,32)(H,28,33)/t14-,20+,21+/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
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n/an/an/an/a 0.00174n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50393258
PNG
(CHEMBL2151734)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CC(N)=O |r|
Show InChI InChI=1S/C27H37N5O5/c1-16-11-20(33)12-17(2)21(16)14-22(28)26(36)32(5)18(3)25(35)30-23(13-19-9-7-6-8-10-19)27(37)31(4)15-24(29)34/h6-12,18,22-23,33H,13-15,28H2,1-5H3,(H2,29,34)(H,30,35)/t18-,22+,23+/m1/s1
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n/an/an/an/a 4.40E+3n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in HEK293 cell membrane assessed as inhibition of forskolin-induced cAMP accumulation by by liquid scintillat...


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
Opioid receptors; mu and delta


(MOUSE)
BDBM50393257
PNG
(CHEMBL2151735)
Show SMILES C[C@@H](N(C)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O |r|
Show InChI InChI=1S/C27H35N5O5/c1-15-9-20(33)10-16(2)21(15)12-22(28)26(36)31(4)17(3)25(35)30-23-11-18-7-5-6-8-19(18)13-32(27(23)37)14-24(29)34/h5-10,17,22-23,33H,11-14,28H2,1-4H3,(H2,29,34)(H,30,35)/t17-,22+,23+/m1/s1
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n/an/an/an/a 1.30n/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at MOR/DOR in in NMRI mouse spinal cord assessed as reduction in spinal cord network activity by electrophysiology assay


J Med Chem 54: 7848-59 (2011)


Article DOI: 10.1021/jm200894e
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%