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Compile Data Set for Download or QSAR

Found 301 hits with Last Name = 'lovell' and Initial = 'km'   
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
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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1.40n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50403547
PNG
(ATROPEN | ATROPINE)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|
Show InChI InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?
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1.40n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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7.40n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266337
PNG
(12-epi-Salvinorin A | CHEMBL458235)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17+,19-,22-,23-/m0/s1
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17n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381667
PNG
(CHEMBL2022018)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)\C=C/c1ccoc1 |r|
Show InChI InChI=1S/C25H30O8/c1-14(26)32-19-11-18(22(28)30-4)24(2)9-7-17-23(29)33-16(6-5-15-8-10-31-13-15)12-25(17,3)21(24)20(19)27/h5-6,8,10,13,16-19,21H,7,9,11-12H2,1-4H3/b6-5-/t16-,17+,18+,19+,21+,24+,25+/m1/s1
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30n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381666
PNG
(CHEMBL2022307)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccco1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-10-14(20(26)28-4)22(2)8-7-13-21(27)31-17(15-6-5-9-29-15)11-23(13,3)19(22)18(16)25/h5-6,9,13-14,16-17,19H,7-8,10-11H2,1-4H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1
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30n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381662
PNG
(CHEMBL2022302)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccsc1 |r|
Show InChI InChI=1S/C24H28O8S/c1-12(25)31-16-9-15(21(28)30-4)23(2)7-5-14-22(29)32-17(18(26)13-6-8-33-11-13)10-24(14,3)20(23)19(16)27/h6,8,11,14-17,20H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1
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31n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50266390
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccs1 |r|
Show InChI InChI=1S/C24H28O8S/c1-12(25)31-15-10-14(21(28)30-4)23(2)8-7-13-22(29)32-16(18(26)17-6-5-9-33-17)11-24(13,3)20(23)19(15)27/h5-6,9,13-16,20H,7-8,10-11H2,1-4H3/t13-,14-,15-,16-,20-,23-,24-/m0/s1
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36n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50097699
PNG
(CHEMBL3590195)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C35H49FN6O5S/c1-3-4-5-6-7-8-9-10-11-12-18-40(2)32(45)25-42-23-29(33(46)39-35(42)48-26-27-13-15-30(36)16-14-27)20-28-21-38-34(47)41(22-28)24-31(44)37-17-19-43/h13-16,21-23,43H,3-12,17-20,24-26H2,1-2H3,(H,37,44)
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37n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381656
PNG
(CHEMBL2022296)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(c1)C(N)=O |r|
Show InChI InChI=1S/C27H31NO9/c1-13(29)36-18-11-17(24(33)35-4)26(2)9-8-16-25(34)37-19(12-27(16,3)22(26)21(18)31)20(30)14-6-5-7-15(10-14)23(28)32/h5-7,10,16-19,22H,8-9,11-12H2,1-4H3,(H2,28,32)/t16-,17-,18-,19-,22-,26-,27-/m0/s1
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40n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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50n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50097703
PNG
(CHEMBL3590199)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccc(Cl)cc1)C(C)(C)C
Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-34(3)26(36)20-35-19-24(16-23-17-31-28(32-18-23)38-5-2)27(37)33-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3
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53n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381668
PNG
(CHEMBL2022019)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H30O8/c1-14(27)33-18-12-17(23(30)32-4)25(2)11-10-16-24(31)34-19(13-26(16,3)22(25)21(18)29)20(28)15-8-6-5-7-9-15/h5-9,16-19,22H,10-13H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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70n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50097697
PNG
(CHEMBL3590193)
Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3
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73n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Displacement of radio-labeled U69,593 from rat kappa opioid receptor expressed in HEK293 cell membranes


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381660
PNG
(CHEMBL2022300)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccco1 |r|
Show InChI InChI=1S/C24H28O9/c1-12(25)32-16-10-14(21(28)30-4)23(2)8-7-13-22(29)33-17(18(26)15-6-5-9-31-15)11-24(13,3)20(23)19(16)27/h5-6,9,13-14,16-17,20H,7-8,10-11H2,1-4H3/t13-,14-,16-,17-,20-,23-,24-/m0/s1
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80n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381673
PNG
(CHEMBL2022294)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C26H30O9/c1-13(27)34-18-11-17(23(31)33-4)25(2)9-8-16-24(32)35-19(12-26(16,3)22(25)21(18)30)20(29)14-6-5-7-15(28)10-14/h5-7,10,16-19,22,28H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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110n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381661
PNG
(CHEMBL2022301)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccoc1 |r|
Show InChI InChI=1S/C24H28O9/c1-12(25)32-16-9-15(21(28)30-4)23(2)7-5-14-22(29)33-17(18(26)13-6-8-31-11-13)10-24(14,3)20(23)19(16)27/h6,8,11,14-17,20H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1
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150n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381657
PNG
(CHEMBL2022297)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H29NO8/c1-14(29)35-19-11-18(24(32)34-4)26(2)9-8-17-25(33)36-20(12-27(17,3)23(26)22(19)31)21(30)16-7-5-6-15(10-16)13-28/h5-7,10,17-20,23H,8-9,11-12H2,1-4H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1
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220n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381670
PNG
(CHEMBL2022021)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C27H32O9/c1-14(28)35-19-12-18(24(31)34-5)26(2)10-9-17-25(32)36-20(13-27(17,3)23(26)22(19)30)21(29)15-7-6-8-16(11-15)33-4/h6-8,11,17-20,23H,9-10,12-13H2,1-5H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1
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290n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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306n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381665
PNG
(CHEMBL2022306)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)C=CC |r,w:29.32|
Show InChI InChI=1S/C23H30O8/c1-6-7-15(25)17-11-23(4)13(21(28)31-17)8-9-22(3)14(20(27)29-5)10-16(30-12(2)24)18(26)19(22)23/h6-7,13-14,16-17,19H,8-11H2,1-5H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1
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320n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381672
PNG
(CHEMBL2022293)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccccc1O |r|
Show InChI InChI=1S/C26H30O9/c1-13(27)34-18-11-16(23(31)33-4)25(2)10-9-15-24(32)35-19(12-26(15,3)22(25)21(18)30)20(29)14-7-5-6-8-17(14)28/h5-8,15-16,18-19,22,28H,9-12H2,1-4H3/t15-,16-,18-,19-,22-,25-,26-/m0/s1
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500n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50263887
PNG
(1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-b...)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H32N4O/c1-19-6-2-3-7-20(19)18-27-14-10-21(11-15-27)28-16-12-22(13-17-28)29-24-9-5-4-8-23(24)26-25(29)30/h2-9,21-22H,10-18H2,1H3,(H,26,30)
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600n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50381658
PNG
(CHEMBL2022298)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C27H29F3O9/c1-13(31)37-18-11-17(23(34)36-4)25(2)9-8-16-24(35)38-19(12-26(16,3)22(25)21(18)33)20(32)14-6-5-7-15(10-14)39-27(28,29)30/h5-7,10,16-19,22H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50381659
PNG
(CHEMBL2022299)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H29F3O8/c1-13(31)37-18-11-17(23(34)36-4)25(2)9-8-16-24(35)38-19(12-26(16,3)22(25)21(18)33)20(32)14-6-5-7-15(10-14)27(28,29)30/h5-7,10,16-19,22H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381673
PNG
(CHEMBL2022294)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(O)c1 |r|
Show InChI InChI=1S/C26H30O9/c1-13(27)34-18-11-17(23(31)33-4)25(2)9-8-16-24(32)35-19(12-26(16,3)22(25)21(18)30)20(29)14-6-5-7-15(28)10-14/h5-7,10,16-19,22,28H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381666
PNG
(CHEMBL2022307)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccco1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-10-14(20(26)28-4)22(2)8-7-13-21(27)31-17(15-6-5-9-29-15)11-23(13,3)19(22)18(16)25/h5-6,9,13-14,16-17,19H,7-8,10-11H2,1-4H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381664
PNG
(CHEMBL2022305)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1csc2ccccc12 |r|
Show InChI InChI=1S/C28H30O8S/c1-14(29)35-19-11-18(25(32)34-4)27(2)10-9-17-26(33)36-20(12-28(17,3)24(27)23(19)31)22(30)16-13-37-21-8-6-5-7-15(16)21/h5-8,13,17-20,24H,9-12H2,1-4H3/t17-,18-,19-,20-,24-,27-,28-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381657
PNG
(CHEMBL2022297)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(c1)C#N |r|
Show InChI InChI=1S/C27H29NO8/c1-14(29)35-19-11-18(24(32)34-4)26(2)9-8-17-25(33)36-20(12-27(17,3)23(26)22(19)31)21(30)16-7-5-6-15(10-16)13-28/h5-7,10,17-20,23H,8-9,11-12H2,1-4H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50381664
PNG
(CHEMBL2022305)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1csc2ccccc12 |r|
Show InChI InChI=1S/C28H30O8S/c1-14(29)35-19-11-18(25(32)34-4)27(2)10-9-17-26(33)36-20(12-28(17,3)24(27)23(19)31)22(30)16-13-37-21-8-6-5-7-15(16)21/h5-8,13,17-20,24H,9-12H2,1-4H3/t17-,18-,19-,20-,24-,27-,28-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381669
PNG
(CHEMBL2022020)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccccc1OC |r|
Show InChI InChI=1S/C27H32O9/c1-14(28)35-19-12-17(24(31)34-5)26(2)11-10-16-25(32)36-20(13-27(16,3)23(26)22(19)30)21(29)15-8-6-7-9-18(15)33-4/h6-9,16-17,19-20,23H,10-13H2,1-5H3/t16-,17-,19-,20-,23-,26-,27-/m0/s1
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1.07E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM54817
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[2-[(p...)
Show SMILES CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C27H33N3O3S/c1-21(2)30(20-24-7-5-4-6-8-24)18-17-28-27(31)25-13-11-23(12-14-25)19-29-34(32,33)26-15-9-22(3)10-16-26/h4-16,21,29H,17-20H2,1-3H3,(H,28,31)
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1.09E+3n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381675
PNG
(CHEMBL2022017)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)\C=C\c1ccoc1 |r|
Show InChI InChI=1S/C25H30O8/c1-14(26)32-19-11-18(22(28)30-4)24(2)9-7-17-23(29)33-16(6-5-15-8-10-31-13-15)12-25(17,3)21(24)20(19)27/h5-6,8,10,13,16-19,21H,7,9,11-12H2,1-4H3/b6-5+/t16-,17+,18+,19+,21+,24+,25+/m1/s1
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1.12E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50424114
PNG
(CHEMBL2315675)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H31FN4O/c1-18-6-2-3-7-19(18)16-28-13-10-20(11-14-28)29-15-12-23(21(26)17-29)30-24-9-5-4-8-22(24)27-25(30)31/h2-9,20-21,23H,10-17H2,1H3,(H,27,31)
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1.35E+3n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50424114
PNG
(CHEMBL2315675)
Show SMILES Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H31FN4O/c1-18-6-2-3-7-19(18)16-28-13-10-20(11-14-28)29-15-12-23(21(26)17-29)30-24-9-5-4-8-22(24)27-25(30)31/h2-9,20-21,23H,10-17H2,1H3,(H,27,31)
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1.35E+3n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]NMS from rat muscarinic M1 receptor expressed in CHO cells after 3 hrs


Bioorg Med Chem Lett 23: 223-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.132
BindingDB Entry DOI: 10.7270/Q2TM7CF9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50159165
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(fura...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|
Show InChI InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
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1.37E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381668
PNG
(CHEMBL2022019)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H30O8/c1-14(27)33-18-12-17(23(30)32-4)25(2)11-10-16-24(31)34-19(13-26(16,3)22(25)21(18)29)20(28)15-8-6-5-7-9-15/h5-9,16-19,22H,10-13H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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1.49E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381665
PNG
(CHEMBL2022306)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)C=CC |r,w:29.32|
Show InChI InChI=1S/C23H30O8/c1-6-7-15(25)17-11-23(4)13(21(28)31-17)8-9-22(3)14(20(27)29-5)10-16(30-12(2)24)18(26)19(22)23/h6-7,13-14,16-17,19H,8-11H2,1-5H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1
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>1.70E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097699
PNG
(CHEMBL3590195)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C35H49FN6O5S/c1-3-4-5-6-7-8-9-10-11-12-18-40(2)32(45)25-42-23-29(33(46)39-35(42)48-26-27-13-15-30(36)16-14-27)20-28-21-38-34(47)41(22-28)24-31(44)37-17-19-43/h13-16,21-23,43H,3-12,17-20,24-26H2,1-2H3,(H,37,44)
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1.75E+3n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50381659
PNG
(CHEMBL2022299)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H29F3O8/c1-13(31)37-18-11-17(23(34)36-4)25(2)9-8-16-24(35)38-19(12-26(16,3)22(25)21(18)33)20(32)14-6-5-7-15(10-14)27(28,29)30/h5-7,10,16-19,22H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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2.26E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097699
PNG
(CHEMBL3590195)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCc2cc(ccc2C1)C(=O)NCCN(Cc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C35H49FN6O5S/c1-3-4-5-6-7-8-9-10-11-12-18-40(2)32(45)25-42-23-29(33(46)39-35(42)48-26-27-13-15-30(36)16-14-27)20-28-21-38-34(47)41(22-28)24-31(44)37-17-19-43/h13-16,21-23,43H,3-12,17-20,24-26H2,1-2H3,(H,37,44)
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2.33E+3n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381662
PNG
(CHEMBL2022302)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccsc1 |r|
Show InChI InChI=1S/C24H28O8S/c1-12(25)31-16-9-15(21(28)30-4)23(2)7-5-14-22(29)32-17(18(26)13-6-8-33-11-13)10-24(14,3)20(23)19(16)27/h6,8,11,14-17,20H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,20-,23-,24-/m0/s1
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2.53E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381667
PNG
(CHEMBL2022018)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)\C=C/c1ccoc1 |r|
Show InChI InChI=1S/C25H30O8/c1-14(26)32-19-11-18(22(28)30-4)24(2)9-7-17-23(29)33-16(6-5-15-8-10-31-13-15)12-25(17,3)21(24)20(19)27/h5-6,8,10,13,16-19,21H,7,9,11-12H2,1-4H3/b6-5-/t16-,17+,18+,19+,21+,24+,25+/m1/s1
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2.60E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381670
PNG
(CHEMBL2022021)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C27H32O9/c1-14(28)35-19-12-18(24(31)34-5)26(2)10-9-17-25(32)36-20(13-27(17,3)23(26)22(19)30)21(29)15-7-6-8-16(11-15)33-4/h6-8,11,17-20,23H,9-10,12-13H2,1-5H3/t17-,18-,19-,20-,23-,26-,27-/m0/s1
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3.09E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381659
PNG
(CHEMBL2022299)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C27H29F3O8/c1-13(31)37-18-11-17(23(34)36-4)25(2)9-8-16-24(35)38-19(12-26(16,3)22(25)21(18)33)20(32)14-6-5-7-15(10-14)27(28,29)30/h5-7,10,16-19,22H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381672
PNG
(CHEMBL2022293)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1ccccc1O |r|
Show InChI InChI=1S/C26H30O9/c1-13(27)34-18-11-16(23(31)33-4)25(2)10-9-15-24(32)35-19(12-26(15,3)22(25)21(18)30)20(29)14-7-5-6-8-17(14)28/h5-8,15-16,18-19,22,28H,9-12H2,1-4H3/t15-,16-,18-,19-,22-,25-,26-/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50381658
PNG
(CHEMBL2022298)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C27H29F3O9/c1-13(31)37-18-11-17(23(34)36-4)25(2)9-8-16-24(35)38-19(12-26(16,3)22(25)21(18)33)20(32)14-6-5-7-15(10-14)39-27(28,29)30/h5-7,10,16-19,22H,8-9,11-12H2,1-4H3/t16-,17-,18-,19-,22-,25-,26-/m0/s1
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4.80E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50381665
PNG
(CHEMBL2022306)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C(=O)C=CC |r,w:29.32|
Show InChI InChI=1S/C23H30O8/c1-6-7-15(25)17-11-23(4)13(21(28)31-17)8-9-22(3)14(20(27)29-5)10-16(30-12(2)24)18(26)19(22)23/h6-7,13-14,16-17,19H,8-11H2,1-5H3/t13-,14-,16-,17-,19-,22-,23-/m0/s1
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>5.00E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting


Bioorg Med Chem 20: 3100-10 (2012)


Article DOI: 10.1016/j.bmc.2012.02.040
BindingDB Entry DOI: 10.7270/Q27H1KK0
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50097697
PNG
(CHEMBL3590193)
Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3
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5.19E+3n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to delta opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50097697
PNG
(CHEMBL3590193)
Show SMILES CC(C)N(CCNC(=O)c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc(C)cc1)Cc1ccc(Br)cc1
Show InChI InChI=1S/C34H46FN7O4S/c1-4-5-6-7-8-9-14-39(3)30(43)23-42-22-28(32(45)37-34(42)47-25-26-10-12-29(35)13-11-26)19-27-20-36-33(46)41(21-27)24-31(44)40-17-15-38(2)16-18-40/h10-13,20-22H,4-9,14-19,23-25H2,1-3H3
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8.17E+3n/an/an/an/an/an/an/an/a



University of Kansas Specialized Chemistry Center

Curated by ChEMBL


Assay Description
Binding affinity to mu opioid receptor (unknown origin)


Bioorg Med Chem 23: 3948-56 (2015)


Article DOI: 10.1016/j.bmc.2014.12.033
BindingDB Entry DOI: 10.7270/Q2R49SJX
More data for this
Ligand-Target Pair
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