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PubMed code 27096047

Compile data set for download or QSAR
Found 73 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


(Homo sapiens (Human))
BDBM50173992
PNG
(CHEMBL3808773)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO2/c1-30(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26(27,28)29)11-13-23(18)25(20,32)19-6-5-7-21(31)15-19/h3-9,11,13-15,20,31-32H,10,12,16H2,1-2H3/t20-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173994
PNG
(CHEMBL3809684)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1F |r|
Show InChI InChI=1/C25H26FNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174102
PNG
(CHEMBL3809970)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C26H27Cl2NO2/c1-29(2)16-21-10-7-19-13-17(18-9-12-24(27)25(28)14-18)8-11-23(19)26(21,30)20-5-4-6-22(15-20)31-3/h4-6,8-9,11-15,21,30H,7,10,16H2,1-3H3/t21-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173990
PNG
(CHEMBL3808766)
Show SMILES COc1ccccc1-c1ccc2c(CCC(CN(C)C)C2(O)c2cccc(O)c2)c1
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174103
PNG
(CHEMBL3809687)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C26H28ClNO2/c1-28(2)17-22-11-7-20-15-19(18-8-12-23(27)13-9-18)10-14-25(20)26(22,29)21-5-4-6-24(16-21)30-3/h4-6,8-10,12-16,22,29H,7,11,17H2,1-3H3/t22-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174105
PNG
(CHEMBL3809054)
Show SMILES COc1ccc(cc1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-23-12-8-21-16-20(19-9-13-24(30-3)14-10-19)11-15-26(21)27(23,29)22-6-5-7-25(17-22)31-4/h5-7,9-11,13-17,23,29H,8,12,18H2,1-4H3/t23-,27+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174106
PNG
(CHEMBL3809396)
Show SMILES COc1cccc(c1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-23-13-11-21-15-20(19-7-5-9-24(16-19)30-3)12-14-26(21)27(23,29)22-8-6-10-25(17-22)31-4/h5-10,12,14-17,23,29H,11,13,18H2,1-4H3/t23-,27+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173993
PNG
(CHEMBL3809017)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1Cl |r|
Show InChI InChI=1/C25H26ClNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173994
PNG
(CHEMBL3809684)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1F |r|
Show InChI InChI=1/C25H26FNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174032
PNG
(CHEMBL3808835)
Show SMILES COc1ccccc1-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r|
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3/t21-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174104
PNG
(CHEMBL3809145)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C27H28F3NO2/c1-31(2)17-23-13-9-20-15-19(18-7-11-21(12-8-18)27(28,29)30)10-14-25(20)26(23,32)22-5-4-6-24(16-22)33-3/h4-8,10-12,14-16,23,32H,9,13,17H2,1-3H3/t23-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174108
PNG
(CHEMBL3809808)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1 |r|
Show InChI InChI=1/C26H29NO2/c1-27(2)18-23-14-12-21-16-20(19-8-5-4-6-9-19)13-15-25(21)26(23,28)22-10-7-11-24(17-22)29-3/h4-11,13,15-17,23,28H,12,14,18H2,1-3H3/t23-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173990
PNG
(CHEMBL3808766)
Show SMILES COc1ccccc1-c1ccc2c(CCC(CN(C)C)C2(O)c2cccc(O)c2)c1
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3
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Fudan University

Curated by ChEMBL


Assay Description
Binding affinity towards human glucocorticoid receptor (GR) was determined using [3H]-Dexamethasone as radioligand in SF-1 cells


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174101
PNG
(CHEMBL3808589)
Show SMILES COc1ccc(cc1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r|
Show InChI InChI=1/C26H29NO3/c1-27(2)17-22-11-7-20-15-19(18-8-12-24(30-3)13-9-18)10-14-25(20)26(22,29)21-5-4-6-23(28)16-21/h4-6,8-10,12-16,22,28-29H,7,11,17H2,1-3H3/t22-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174105
PNG
(CHEMBL3809054)
Show SMILES COc1ccc(cc1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-23-12-8-21-16-20(19-9-13-24(30-3)14-10-19)11-15-26(21)27(23,29)22-6-5-7-25(17-22)31-4/h5-7,9-11,13-17,23,29H,8,12,18H2,1-4H3/t23-,27+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174102
PNG
(CHEMBL3809970)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C26H27Cl2NO2/c1-29(2)16-21-10-7-19-13-17(18-9-12-24(27)25(28)14-18)8-11-23(19)26(21,30)20-5-4-6-22(15-20)31-3/h4-6,8-9,11-15,21,30H,7,10,16H2,1-3H3/t21-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174104
PNG
(CHEMBL3809145)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C27H28F3NO2/c1-31(2)17-23-13-9-20-15-19(18-7-11-21(12-8-18)27(28,29)30)10-14-25(20)26(23,32)22-5-4-6-24(16-22)33-3/h4-8,10-12,14-16,23,32H,9,13,17H2,1-3H3/t23-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173990
PNG
(CHEMBL3808766)
Show SMILES COc1ccccc1-c1ccc2c(CCC(CN(C)C)C2(O)c2cccc(O)c2)c1
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174110
PNG
(CHEMBL3809546)
Show SMILES COc1cccc(c1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r|
Show InChI InChI=1/C26H29NO3/c1-27(2)17-22-12-10-20-14-19(18-6-4-9-24(15-18)30-3)11-13-25(20)26(22,29)21-7-5-8-23(28)16-21/h4-9,11,13-16,22,28-29H,10,12,17H2,1-3H3/t22-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173995
PNG
(CHEMBL3809491)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C |r|
Show InChI InChI=1/C26H29NO2/c1-18-7-4-5-10-24(18)19-12-14-25-20(15-19)11-13-22(17-27(2)3)26(25,29)21-8-6-9-23(28)16-21/h4-10,12,14-16,22,28-29H,11,13,17H2,1-3H3/t22-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174042
PNG
(CHEMBL3809650)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C25H25Cl2NO2/c1-28(2)15-20-9-6-18-12-16(17-8-11-23(26)24(27)13-17)7-10-22(18)25(20,30)19-4-3-5-21(29)14-19/h3-5,7-8,10-14,20,29-30H,6,9,15H2,1-2H3/t20-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174104
PNG
(CHEMBL3809145)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C27H28F3NO2/c1-31(2)17-23-13-9-20-15-19(18-7-11-21(12-8-18)27(28,29)30)10-14-25(20)26(23,32)22-5-4-6-24(16-22)33-3/h4-8,10-12,14-16,23,32H,9,13,17H2,1-3H3/t23-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174042
PNG
(CHEMBL3809650)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C25H25Cl2NO2/c1-28(2)15-20-9-6-18-12-16(17-8-11-23(26)24(27)13-17)7-10-22(18)25(20,30)19-4-3-5-21(29)14-19/h3-5,7-8,10-14,20,29-30H,6,9,15H2,1-2H3/t20-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173990
PNG
(CHEMBL3808766)
Show SMILES COc1ccccc1-c1ccc2c(CCC(CN(C)C)C2(O)c2cccc(O)c2)c1
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174101
PNG
(CHEMBL3808589)
Show SMILES COc1ccc(cc1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r|
Show InChI InChI=1/C26H29NO3/c1-27(2)17-22-11-7-20-15-19(18-8-12-24(30-3)13-9-18)10-14-25(20)26(22,29)21-5-4-6-23(28)16-21/h4-6,8-10,12-16,22,28-29H,7,11,17H2,1-3H3/t22-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174071
PNG
(CHEMBL3808800)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO2/c1-30(2)16-22-12-8-19-14-18(17-6-10-20(11-7-17)26(27,28)29)9-13-24(19)25(22,32)21-4-3-5-23(31)15-21/h3-7,9-11,13-15,22,31-32H,8,12,16H2,1-2H3/t22-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174108
PNG
(CHEMBL3809808)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1 |r|
Show InChI InChI=1/C26H29NO2/c1-27(2)18-23-14-12-21-16-20(19-8-5-4-6-9-19)13-15-25(21)26(23,28)22-10-7-11-24(17-22)29-3/h4-11,13,15-17,23,28H,12,14,18H2,1-3H3/t23-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173991
PNG
(CHEMBL3809323)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1OC(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO3/c1-30(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)33-26(27,28)29)11-13-23(18)25(20,32)19-6-5-7-21(31)15-19/h3-9,11,13-15,20,31-32H,10,12,16H2,1-2H3/t20-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174106
PNG
(CHEMBL3809396)
Show SMILES COc1cccc(c1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-23-13-11-21-15-20(19-7-5-9-24(16-19)30-3)12-14-26(21)27(23,29)22-8-6-10-25(17-22)31-4/h5-10,12,14-17,23,29H,11,13,18H2,1-4H3/t23-,27+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174107
PNG
(CHEMBL3808879)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1OC |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-22-14-12-20-16-19(24-10-5-6-11-26(24)31-4)13-15-25(20)27(22,29)21-8-7-9-23(17-21)30-3/h5-11,13,15-17,22,29H,12,14,18H2,1-4H3/t22-,27+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173991
PNG
(CHEMBL3809323)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1OC(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO3/c1-30(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)33-26(27,28)29)11-13-23(18)25(20,32)19-6-5-7-21(31)15-19/h3-9,11,13-15,20,31-32H,10,12,16H2,1-2H3/t20-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174071
PNG
(CHEMBL3808800)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO2/c1-30(2)16-22-12-8-19-14-18(17-6-10-20(11-7-17)26(27,28)29)9-13-24(19)25(22,32)21-4-3-5-23(31)15-21/h3-7,9-11,13-15,22,31-32H,8,12,16H2,1-2H3/t22-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174103
PNG
(CHEMBL3809687)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C26H28ClNO2/c1-28(2)17-22-11-7-20-15-19(18-8-12-23(27)13-9-18)10-14-25(20)26(22,29)21-5-4-6-24(16-21)30-3/h4-6,8-10,12-16,22,29H,7,11,17H2,1-3H3/t22-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174103
PNG
(CHEMBL3809687)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C26H28ClNO2/c1-28(2)17-22-11-7-20-15-19(18-8-12-23(27)13-9-18)10-14-25(20)26(22,29)21-5-4-6-24(16-21)30-3/h4-6,8-10,12-16,22,29H,7,11,17H2,1-3H3/t22-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174105
PNG
(CHEMBL3809054)
Show SMILES COc1ccc(cc1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-23-12-8-21-16-20(19-9-13-24(30-3)14-10-19)11-15-26(21)27(23,29)22-6-5-7-25(17-22)31-4/h5-7,9-11,13-17,23,29H,8,12,18H2,1-4H3/t23-,27+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174106
PNG
(CHEMBL3809396)
Show SMILES COc1cccc(c1)-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(OC)c2)c1 |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-23-13-11-21-15-20(19-7-5-9-24(16-19)30-3)12-14-26(21)27(23,29)22-8-6-10-25(17-22)31-4/h5-10,12,14-17,23,29H,11,13,18H2,1-4H3/t23-,27+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173995
PNG
(CHEMBL3809491)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C |r|
Show InChI InChI=1/C26H29NO2/c1-18-7-4-5-10-24(18)19-12-14-25-20(15-19)11-13-22(17-27(2)3)26(25,29)21-8-6-9-23(28)16-21/h4-10,12,14-16,22,28-29H,11,13,17H2,1-3H3/t22-,26+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174042
PNG
(CHEMBL3809650)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C25H25Cl2NO2/c1-28(2)15-20-9-6-18-12-16(17-8-11-23(26)24(27)13-17)7-10-22(18)25(20,30)19-4-3-5-21(29)14-19/h3-5,7-8,10-14,20,29-30H,6,9,15H2,1-2H3/t20-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174109
PNG
(CHEMBL3810337)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C25H26ClNO2/c1-27(2)16-21-10-6-19-14-18(17-7-11-22(26)12-8-17)9-13-24(19)25(21,29)20-4-3-5-23(28)15-20/h3-5,7-9,11-15,21,28-29H,6,10,16H2,1-2H3/t21-,25+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174102
PNG
(CHEMBL3809970)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1/C26H27Cl2NO2/c1-29(2)16-21-10-7-19-13-17(18-9-12-24(27)25(28)14-18)8-11-23(19)26(21,30)20-5-4-6-22(15-20)31-3/h4-6,8-9,11-15,21,30H,7,10,16H2,1-3H3/t21-,26+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173993
PNG
(CHEMBL3809017)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1Cl |r|
Show InChI InChI=1/C25H26ClNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174107
PNG
(CHEMBL3808879)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1OC |r|
Show InChI InChI=1/C27H31NO3/c1-28(2)18-22-14-12-20-16-19(24-10-5-6-11-26(24)31-4)13-15-25(20)27(22,29)21-8-7-9-23(17-21)30-3/h5-11,13,15-17,22,29H,12,14,18H2,1-4H3/t22-,27+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173992
PNG
(CHEMBL3808773)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO2/c1-30(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26(27,28)29)11-13-23(18)25(20,32)19-6-5-7-21(31)15-19/h3-9,11,13-15,20,31-32H,10,12,16H2,1-2H3/t20-,25+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173990
PNG
(CHEMBL3808766)
Show SMILES COc1ccccc1-c1ccc2c(CCC(CN(C)C)C2(O)c2cccc(O)c2)c1
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174071
PNG
(CHEMBL3808800)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO2/c1-30(2)16-22-12-8-19-14-18(17-6-10-20(11-7-17)26(27,28)29)9-13-24(19)25(22,32)21-4-3-5-23(31)15-21/h3-7,9-11,13-15,22,31-32H,8,12,16H2,1-2H3/t22-,25+/s2
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Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174111
PNG
(CHEMBL3810282)
Show SMILES COc1cccc(c1)[C@]1(O)[C@@H](CN(C)C)CCc2cc(ccc12)-c1ccccc1C |r|
Show InChI InChI=1/C27H31NO2/c1-19-8-5-6-11-25(19)20-13-15-26-21(16-20)12-14-23(18-28(2)3)27(26,29)22-9-7-10-24(17-22)30-4/h5-11,13,15-17,23,29H,12,14,18H2,1-4H3/t23-,27+/s2
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>1n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173990
PNG
(CHEMBL3808766)
Show SMILES COc1ccccc1-c1ccc2c(CCC(CN(C)C)C2(O)c2cccc(O)c2)c1
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3
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2.70n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174032
PNG
(CHEMBL3808835)
Show SMILES COc1ccccc1-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r|
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3/t21-,26+/s2
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4.70n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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11n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from human MOR expressed in CHO-K1 cell membranes after 60 mins by microbeta scintillation counting method


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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13n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173992
PNG
(CHEMBL3808773)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO2/c1-30(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26(27,28)29)11-13-23(18)25(20,32)19-6-5-7-21(31)15-19/h3-9,11,13-15,20,31-32H,10,12,16H2,1-2H3/t20-,25+/s2
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65n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173995
PNG
(CHEMBL3809491)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C |r|
Show InChI InChI=1/C26H29NO2/c1-18-7-4-5-10-24(18)19-12-14-25-20(15-19)11-13-22(17-27(2)3)26(25,29)21-8-6-9-23(28)16-21/h4-10,12,14-16,22,28-29H,11,13,17H2,1-3H3/t22-,26+/s2
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140n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173989
PNG
(CHEMBL3809091)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1 |r|
Show InChI InChI=1/C25H27NO2/c1-26(2)17-22-13-11-20-15-19(18-7-4-3-5-8-18)12-14-24(20)25(22,28)21-9-6-10-23(27)16-21/h3-10,12,14-16,22,27-28H,11,13,17H2,1-2H3/t22-,25+/s2
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140n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human KOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173993
PNG
(CHEMBL3809017)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1Cl |r|
Show InChI InChI=1/C25H26ClNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/s2
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160n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173991
PNG
(CHEMBL3809323)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1OC(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO3/c1-30(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)33-26(27,28)29)11-13-23(18)25(20,32)19-6-5-7-21(31)15-19/h3-9,11,13-15,20,31-32H,10,12,16H2,1-2H3/t20-,25+/s2
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260n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173994
PNG
(CHEMBL3809684)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1F |r|
Show InChI InChI=1/C25H26FNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/s2
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720n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 60 mins


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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2.40E+3n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Binding affinity towards aldosterone receptor (Mineralocorticoid receptor)


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50174032
PNG
(CHEMBL3808835)
Show SMILES COc1ccccc1-c1ccc2c(CC[C@H](CN(C)C)[C@@]2(O)c2cccc(O)c2)c1 |r|
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3/t21-,26+/s2
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n/an/an/an/a 9.30n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173995
PNG
(CHEMBL3809491)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C |r|
Show InChI InChI=1/C26H29NO2/c1-18-7-4-5-10-24(18)19-12-14-25-20(15-19)11-13-22(17-27(2)3)26(25,29)21-8-6-9-23(28)16-21/h4-10,12,14-16,22,28-29H,11,13,17H2,1-3H3/t22-,26+/s2
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n/an/an/an/a 490n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

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 30n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173993
PNG
(CHEMBL3809017)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1Cl |r|
Show InChI InChI=1/C25H26ClNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/s2
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n/an/an/an/a 950n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173991
PNG
(CHEMBL3809323)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1OC(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO3/c1-30(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)33-26(27,28)29)11-13-23(18)25(20,32)19-6-5-7-21(31)15-19/h3-9,11,13-15,20,31-32H,10,12,16H2,1-2H3/t20-,25+/s2
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n/an/an/an/a 1.00E+3n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173990
PNG
(CHEMBL3808766)
Show SMILES COc1ccccc1-c1ccc2c(CCC(CN(C)C)C2(O)c2cccc(O)c2)c1
Show InChI InChI=1/C26H29NO3/c1-27(2)17-21-13-11-19-15-18(23-9-4-5-10-25(23)30-3)12-14-24(19)26(21,29)20-7-6-8-22(28)16-20/h4-10,12,14-16,21,28-29H,11,13,17H2,1-3H3
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n/an/an/an/a 2.60n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM21008
PNG
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)
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 0.120n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173994
PNG
(CHEMBL3809684)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1F |r|
Show InChI InChI=1/C25H26FNO2/c1-27(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26)11-13-23(18)25(20,29)19-6-5-7-21(28)15-19/h3-9,11,13-15,20,28-29H,10,12,16H2,1-2H3/t20-,25+/s2
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n/an/an/an/a 1.60E+3n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173992
PNG
(CHEMBL3808773)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1C(F)(F)F |r|
Show InChI InChI=1/C26H26F3NO2/c1-30(2)16-20-12-10-18-14-17(22-8-3-4-9-24(22)26(27,28)29)11-13-23(18)25(20,32)19-6-5-7-21(31)15-19/h3-9,11,13-15,20,31-32H,10,12,16H2,1-2H3/t20-,25+/s2
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n/an/an/an/a 900n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human DOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50176263
PNG
(3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycycl...)
Show SMILES CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
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n/an/an/an/a 240n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50176259
PNG
((1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphen...)
Show SMILES COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

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


(Homo sapiens (Human))
BDBM50173989
PNG
(CHEMBL3809091)
Show SMILES CN(C)C[C@H]1CCc2cc(ccc2[C@]1(O)c1cccc(O)c1)-c1ccccc1 |r|
Show InChI InChI=1/C25H27NO2/c1-26(2)17-22-13-11-20-15-19(18-7-4-3-5-8-18)12-14-24(20)25(22,28)21-9-6-10-23(27)16-21/h3-10,12,14-16,22,27-28H,11,13,17H2,1-2H3/t22-,25+/s2
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n/an/an/an/a 580n/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cell membranes after 60 mins by [35S]GTP-gamma-S binding assay


ACS Med Chem Lett 7: 391-6 (2016)

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