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PubMed code 22995061

Compile data set for download or QSAR
Found 37 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
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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1.5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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2.90n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
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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3.30n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398700
PNG
(CHEMBL2178733)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21+/m0/s1
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5.60n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398702
PNG
(CHEMBL2178731)
Show SMILES NC(=O)[C@H]1CC(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 |r|
Show InChI InChI=1S/C27H30N6O5/c28-25(36)20-14-24(35)29-11-10-23(34)31-22(13-17-15-30-19-9-5-4-8-18(17)19)27(38)33-21(26(37)32-20)12-16-6-2-1-3-7-16/h1-9,15,20-22,30H,10-14H2,(H2,28,36)(H,29,35)(H,31,34)(H,32,37)(H,33,38)/t20-,21+,22-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398709
PNG
(CHEMBL2178724)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21-/m0/s1
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12n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398701
PNG
(CHEMBL2178732)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20+/m0/s1
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16n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398701
PNG
(CHEMBL2178732)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20+/m0/s1
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24n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398709
PNG
(CHEMBL2178724)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21-/m0/s1
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3.30E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398709
PNG
(CHEMBL2178724)
Show SMILES CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21-/m0/s1
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7.40E+4n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398703
PNG
(CHEMBL2178730)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C19H29N7O4/c1-12(27)25-14(8-5-9-23-19(21)22)18(30)26-15(17(29)24-11-16(20)28)10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3,(H2,20,28)(H,24,29)(H,25,27)(H,26,30)(H4,21,22,23)/t14-,15+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398708
PNG
(CHEMBL2178725)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H21N5O3/c1-11(23)21-15(8-13-9-19-10-20-13)17(25)22-14(16(18)24)7-12-5-3-2-4-6-12/h2-6,9-10,14-15H,7-8H2,1H3,(H2,18,24)(H,19,20)(H,21,23)(H,22,25)/t14-,15+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398705
PNG
(CHEMBL2178728)
Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C19H29N5O4/c1-13(25)23-15(9-5-6-10-20)19(28)24-16(18(27)22-12-17(21)26)11-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12,20H2,1H3,(H2,21,26)(H,22,27)(H,23,25)(H,24,28)/t15-,16+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398705
PNG
(CHEMBL2178728)
Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C19H29N5O4/c1-13(25)23-15(9-5-6-10-20)19(28)24-16(18(27)22-12-17(21)26)11-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12,20H2,1H3,(H2,21,26)(H,22,27)(H,23,25)(H,24,28)/t15-,16+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398704
PNG
(CHEMBL2178729)
Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H26N6O3/c1-11(24)22-13(8-5-9-21-17(19)20)16(26)23-14(15(18)25)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H2,18,25)(H,22,24)(H,23,26)(H4,19,20,21)/t13-,14+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398702
PNG
(CHEMBL2178731)
Show SMILES NC(=O)[C@H]1CC(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 |r|
Show InChI InChI=1S/C27H30N6O5/c28-25(36)20-14-24(35)29-11-10-23(34)31-22(13-17-15-30-19-9-5-4-8-18(17)19)27(38)33-21(26(37)32-20)12-16-6-2-1-3-7-16/h1-9,15,20-22,30H,10-14H2,(H2,28,36)(H,29,35)(H,31,34)(H,32,37)(H,33,38)/t20-,21+,22-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398705
PNG
(CHEMBL2178728)
Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C19H29N5O4/c1-13(25)23-15(9-5-6-10-20)19(28)24-16(18(27)22-12-17(21)26)11-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-12,20H2,1H3,(H2,21,26)(H,22,27)(H,23,25)(H,24,28)/t15-,16+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398707
PNG
(CHEMBL2178726)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C19H24N6O4/c1-12(26)24-16(8-14-9-21-11-23-14)19(29)25-15(18(28)22-10-17(20)27)7-13-5-3-2-4-6-13/h2-6,9,11,15-16H,7-8,10H2,1H3,(H2,20,27)(H,21,23)(H,22,28)(H,24,26)(H,25,29)/t15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398702
PNG
(CHEMBL2178731)
Show SMILES NC(=O)[C@H]1CC(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 |r|
Show InChI InChI=1S/C27H30N6O5/c28-25(36)20-14-24(35)29-11-10-23(34)31-22(13-17-15-30-19-9-5-4-8-18(17)19)27(38)33-21(26(37)32-20)12-16-6-2-1-3-7-16/h1-9,15,20-22,30H,10-14H2,(H2,28,36)(H,29,35)(H,31,34)(H,32,37)(H,33,38)/t20-,21+,22-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398706
PNG
(CHEMBL2178727)
Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H26N4O3/c1-12(22)20-14(9-5-6-10-18)17(24)21-15(16(19)23)11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-11,18H2,1H3,(H2,19,23)(H,20,22)(H,21,24)/t14-,15+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398707
PNG
(CHEMBL2178726)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C19H24N6O4/c1-12(26)24-16(8-14-9-21-11-23-14)19(29)25-15(18(28)22-10-17(20)27)7-13-5-3-2-4-6-13/h2-6,9,11,15-16H,7-8,10H2,1H3,(H2,20,27)(H,21,23)(H,22,28)(H,24,26)(H,25,29)/t15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398706
PNG
(CHEMBL2178727)
Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H26N4O3/c1-12(22)20-14(9-5-6-10-18)17(24)21-15(16(19)23)11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-11,18H2,1H3,(H2,19,23)(H,20,22)(H,21,24)/t14-,15+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398703
PNG
(CHEMBL2178730)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C19H29N7O4/c1-12(27)25-14(8-5-9-23-19(21)22)18(30)26-15(17(29)24-11-16(20)28)10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3,(H2,20,28)(H,24,29)(H,25,27)(H,26,30)(H4,21,22,23)/t14-,15+/m1/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398703
PNG
(CHEMBL2178730)
Show SMILES [#6]-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r|
Show InChI InChI=1S/C19H29N7O4/c1-12(27)25-14(8-5-9-23-19(21)22)18(30)26-15(17(29)24-11-16(20)28)10-13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-11H2,1H3,(H2,20,28)(H,24,29)(H,25,27)(H,26,30)(H4,21,22,23)/t14-,15+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398700
PNG
(CHEMBL2178733)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21+/m0/s1
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University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398707
PNG
(CHEMBL2178726)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C19H24N6O4/c1-12(26)24-16(8-14-9-21-11-23-14)19(29)25-15(18(28)22-10-17(20)27)7-13-5-3-2-4-6-13/h2-6,9,11,15-16H,7-8,10H2,1H3,(H2,20,27)(H,21,23)(H,22,28)(H,24,26)(H,25,29)/t15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398708
PNG
(CHEMBL2178725)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H21N5O3/c1-11(23)21-15(8-13-9-19-10-20-13)17(25)22-14(16(18)24)7-12-5-3-2-4-6-12/h2-6,9-10,14-15H,7-8H2,1H3,(H2,18,24)(H,19,20)(H,21,23)(H,22,25)/t14-,15+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398700
PNG
(CHEMBL2178733)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398706
PNG
(CHEMBL2178727)
Show SMILES CC(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H26N4O3/c1-12(22)20-14(9-5-6-10-18)17(24)21-15(16(19)23)11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-11,18H2,1H3,(H2,19,23)(H,20,22)(H,21,24)/t14-,15+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50398704
PNG
(CHEMBL2178729)
Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H26N6O3/c1-11(24)22-13(8-5-9-21-17(19)20)16(26)23-14(15(18)25)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H2,18,25)(H,22,24)(H,23,26)(H4,19,20,21)/t13-,14+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human DOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398708
PNG
(CHEMBL2178725)
Show SMILES CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H21N5O3/c1-11(23)21-15(8-13-9-19-10-20-13)17(25)22-14(16(18)24)7-12-5-3-2-4-6-12/h2-6,9-10,14-15H,7-8H2,1H3,(H2,18,24)(H,19,20)(H,21,23)(H,22,25)/t14-,15+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in HEK293 cells after 2 hrs by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398704
PNG
(CHEMBL2178729)
Show SMILES CC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C17H26N6O3/c1-11(24)22-13(8-5-9-21-17(19)20)16(26)23-14(15(18)25)10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-10H2,1H3,(H2,18,25)(H,22,24)(H,23,26)(H4,19,20,21)/t13-,14+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50398701
PNG
(CHEMBL2178732)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human KOR expressed in HEK293 cells after 90 mins by liquid scintillation counting


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 4.30n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 15 mins by cAMP EIA


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398702
PNG
(CHEMBL2178731)
Show SMILES NC(=O)[C@H]1CC(=O)NCCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 |r|
Show InChI InChI=1S/C27H30N6O5/c28-25(36)20-14-24(35)29-11-10-23(34)31-22(13-17-15-30-19-9-5-4-8-18(17)19)27(38)33-21(26(37)32-20)12-16-6-2-1-3-7-16/h1-9,15,20-22,30H,10-14H2,(H2,28,36)(H,29,35)(H,31,34)(H,32,37)(H,33,38)/t20-,21+,22-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 15 mins by cAMP EIA


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398700
PNG
(CHEMBL2178733)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O |r|
Show InChI InChI=1S/C24H27N5O4/c1-15(30)28-21(12-17-13-26-19-10-6-5-9-18(17)19)24(33)29-20(23(32)27-14-22(25)31)11-16-7-3-2-4-8-16/h2-10,13,20-21,26H,11-12,14H2,1H3,(H2,25,31)(H,27,32)(H,28,30)(H,29,33)/t20-,21+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Partial agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 15 mins by cAMP E...


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50398701
PNG
(CHEMBL2178732)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1S/C22H24N4O3/c1-14(27)25-20(12-16-13-24-18-10-6-5-9-17(16)18)22(29)26-19(21(23)28)11-15-7-3-2-4-8-15/h2-10,13,19-20,24H,11-12H2,1H3,(H2,23,28)(H,25,27)(H,26,29)/t19-,20+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
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UniChem
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in HEK293 cells assessed as inhibition of forskolin-induced cAMP accumulation after 15 mins by cAMP EIA


J Med Chem 55: 10292-6 (2012)


Article DOI: 10.1021/jm301213s
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%