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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'ben haddou' and Initial = 't'   
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))
BDBM50240938
PNG
(CHEMBL4071862)
Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCCC2)c1
Show InChI InChI=1S/C22H29NO/c24-22-12-6-11-20(17-22)14-16-23(18-21-9-4-5-10-21)15-13-19-7-2-1-3-8-19/h1-3,6-8,11-12,17,21,24H,4-5,9-10,13-16,18H2
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0.0170n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240954
PNG
(CHEMBL4101576)
Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCCCC2)c1F
Show InChI InChI=1S/C23H30FNO/c24-23-21(12-7-13-22(23)26)15-17-25(18-20-10-5-2-6-11-20)16-14-19-8-3-1-4-9-19/h1,3-4,7-9,12-13,20,26H,2,5-6,10-11,14-18H2
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0.0400n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50250450
PNG
(CHEMBL4103328)
Show SMILES [H][C@@]12CCC[C@@]3(OCc4ccccc4)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:29:28:5:24.17.16|
Show InChI InChI=1S/C24H27NO3/c1-25-13-12-23-20-8-5-11-24(23,27-15-16-6-3-2-4-7-16)19(25)14-17-9-10-18(26)22(28-20)21(17)23/h2-4,6-7,9-10,19-20,26H,5,8,11-15H2,1H3/t19-,20+,23-,24-/m1/s1
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0.0480n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240970
PNG
(CHEMBL4092640)
Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCCCC2)c1
Show InChI InChI=1S/C23H31NO/c25-23-13-7-12-21(18-23)15-17-24(19-22-10-5-2-6-11-22)16-14-20-8-3-1-4-9-20/h1,3-4,7-9,12-13,18,22,25H,2,5-6,10-11,14-17,19H2
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0.0610n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240967
PNG
(CHEMBL4090181)
Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)CC2CCC2)c1F
Show InChI InChI=1S/C21H26FNO/c22-21-19(10-5-11-20(21)24)13-15-23(16-18-8-4-9-18)14-12-17-6-2-1-3-7-17/h1-3,5-7,10-11,18,24H,4,8-9,12-16H2
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0.0720n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240955
PNG
(CHEMBL4083571)
Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2F)CC2CCC2)c1
Show InChI InChI=1S/C21H26FNO2/c22-21-18(7-3-9-20(21)25)11-13-23(15-17-5-1-6-17)12-10-16-4-2-8-19(24)14-16/h2-4,7-9,14,17,24-25H,1,5-6,10-13,15H2
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0.120n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240958
PNG
(CHEMBL4065350)
Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)c1
Show InChI InChI=1S/C23H31NO2/c25-22-10-4-8-19(16-22)12-14-24(18-21-6-2-1-3-7-21)15-13-20-9-5-11-23(26)17-20/h4-5,8-11,16-17,21,25-26H,1-3,6-7,12-15,18H2
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0.140n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50250449
PNG
(CHEMBL4065490)
Show SMILES [H][C@@]12CCC[C@@]3(OC)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:23:22:5:18.11.10|
Show InChI InChI=1S/C18H23NO3/c1-19-9-8-17-14-4-3-7-18(17,21-2)13(19)10-11-5-6-12(20)16(22-14)15(11)17/h5-6,13-14,20H,3-4,7-10H2,1-2H3/t13-,14+,17-,18-/m1/s1
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0.240n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50142700
PNG
(CHEMBL326684)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)C(=O)CC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:23:22:16:2.3.24|
Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13-,17+,18+,19-/m1/s1
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0.25n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240947
PNG
(CHEMBL4086783)
Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCC2)c1
Show InChI InChI=1S/C22H29NO2/c24-21-9-3-7-18(15-21)11-13-23(17-20-5-1-2-6-20)14-12-19-8-4-10-22(25)16-19/h3-4,7-10,15-16,20,24-25H,1-2,5-6,11-14,17H2
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0.310n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50326662
PNG
(10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...)
Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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0.320n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50250451
PNG
(CHEMBL4088589)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2|
Show InChI InChI=1S/C19H25NO3/c1-17-7-4-8-19(22-3)14-11-12-5-6-13(21)16(23-17)15(12)18(17,19)9-10-20(14)2/h5-6,14,21H,4,7-11H2,1-3H3/t14-,17+,18+,19-/m1/s1
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0.340n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240971
PNG
(CHEMBL4096973)
Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO2/c23-20-8-2-4-17(14-20)10-12-22(16-19-6-1-7-19)13-11-18-5-3-9-21(24)15-18/h2-5,8-9,14-15,19,23-24H,1,6-7,10-13,16H2
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0.380n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50250448
PNG
(CHEMBL607351)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)OCc1ccccc1)ccc3O |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C24H25NO4/c1-25-12-11-23-20-16-7-8-17(26)21(20)29-22(23)18(27)9-10-24(23,19(25)13-16)28-14-15-5-3-2-4-6-15/h2-8,19,22,26H,9-14H2,1H3/t19-,22+,23+,24-/m1/s1
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0.450n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


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


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240939
PNG
(CHEMBL4063231)
Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)Cc2ccccc2)c1
Show InChI InChI=1S/C23H25NO/c25-23-13-7-12-21(18-23)15-17-24(19-22-10-5-2-6-11-22)16-14-20-8-3-1-4-9-20/h1-13,18,25H,14-17,19H2
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0.710n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50250450
PNG
(CHEMBL4103328)
Show SMILES [H][C@@]12CCC[C@@]3(OCc4ccccc4)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:29:28:5:24.17.16|
Show InChI InChI=1S/C24H27NO3/c1-25-13-12-23-20-8-5-11-24(23,27-15-16-6-3-2-4-7-16)19(25)14-17-9-10-18(26)22(28-20)21(17)23/h2-4,6-7,9-10,19-20,26H,5,8,11-15H2,1H3/t19-,20+,23-,24-/m1/s1
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0.850n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50250450
PNG
(CHEMBL4103328)
Show SMILES [H][C@@]12CCC[C@@]3(OCc4ccccc4)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:29:28:5:24.17.16|
Show InChI InChI=1S/C24H27NO3/c1-25-13-12-23-20-8-5-11-24(23,27-15-16-6-3-2-4-7-16)19(25)14-17-9-10-18(26)22(28-20)21(17)23/h2-4,6-7,9-10,19-20,26H,5,8,11-15H2,1H3/t19-,20+,23-,24-/m1/s1
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0.890n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50250448
PNG
(CHEMBL607351)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)OCc1ccccc1)ccc3O |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C24H25NO4/c1-25-12-11-23-20-16-7-8-17(26)21(20)29-22(23)18(27)9-10-24(23,19(25)13-16)28-14-15-5-3-2-4-6-15/h2-8,19,22,26H,9-14H2,1H3/t19-,22+,23+,24-/m1/s1
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1.10n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50250448
PNG
(CHEMBL607351)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(C)CC[C@@]14[C@]5(CCC2=O)OCc1ccccc1)ccc3O |r,THB:10:9:14:4.5.6|
Show InChI InChI=1S/C24H25NO4/c1-25-12-11-23-20-16-7-8-17(26)21(20)29-22(23)18(27)9-10-24(23,19(25)13-16)28-14-15-5-3-2-4-6-15/h2-8,19,22,26H,9-14H2,1H3/t19-,22+,23+,24-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50250452
PNG
(CHEMBL4074110)
Show SMILES [H][C@@]12CCC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:22:21:5:17.10.9|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-16-13-3-2-6-17(16,20)12(18)9-10-4-5-11(19)15(21-13)14(10)16/h4-5,12-13,19-20H,2-3,6-9H2,1H3/t12-,13+,16-,17-/m1/s1
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1.70n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


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


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from recombinant human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240965
PNG
(CHEMBL4084291)
Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)cc1
Show InChI InChI=1S/C23H31NO2/c25-22-11-9-19(10-12-22)13-15-24(18-21-5-2-1-3-6-21)16-14-20-7-4-8-23(26)17-20/h4,7-12,17,21,25-26H,1-3,5-6,13-16,18H2
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1.90n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240949
PNG
(CHEMBL4073963)
Show SMILES Cl.CC(C)CCN(CCc1cccc(O)c1)CCc1cccc(O)c1
Show InChI InChI=1S/C21H29NO2/c1-17(2)9-12-22(13-10-18-5-3-7-20(23)15-18)14-11-19-6-4-8-21(24)16-19/h3-8,15-17,23-24H,9-14H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240941
PNG
(CHEMBL4078954)
Show SMILES Cl.CC(C)CCN(CCc1ccccc1)CCc1cccc(O)c1
Show InChI InChI=1S/C21H29NO/c1-18(2)11-14-22(15-12-19-7-4-3-5-8-19)16-13-20-9-6-10-21(23)17-20/h3-10,17-18,23H,11-16H2,1-2H3
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2.70n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240968
PNG
(CHEMBL4093848)
Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2F)CC2CCC2)cc1
Show InChI InChI=1S/C21H26FNO2/c22-21-18(5-2-6-20(21)25)12-14-23(15-17-3-1-4-17)13-11-16-7-9-19(24)10-8-16/h2,5-10,17,24-25H,1,3-4,11-15H2
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3.40n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240950
PNG
(CHEMBL4094512)
Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC2CCC2)cc1
Show InChI InChI=1S/C21H27NO2/c23-20-9-7-17(8-10-20)11-13-22(16-19-4-1-5-19)14-12-18-3-2-6-21(24)15-18/h2-3,6-10,15,19,23-24H,1,4-5,11-14,16H2
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3.40n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240966
PNG
(CHEMBL4069115)
Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC2CC2)cc1
Show InChI InChI=1S/C20H25NO2/c22-19-8-6-16(7-9-19)10-12-21(15-18-4-5-18)13-11-17-2-1-3-20(23)14-17/h1-3,6-9,14,18,22-23H,4-5,10-13,15H2
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3.60n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50250449
PNG
(CHEMBL4065490)
Show SMILES [H][C@@]12CCC[C@@]3(OC)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:23:22:5:18.11.10|
Show InChI InChI=1S/C18H23NO3/c1-19-9-8-17-14-4-3-7-18(17,21-2)13(19)10-11-5-6-12(20)16(22-14)15(11)17/h5-6,13-14,20H,3-4,7-10H2,1-2H3/t13-,14+,17-,18-/m1/s1
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4n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240942
PNG
(CHEMBL4103205)
Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CC2)c1
Show InChI InChI=1S/C20H25NO2/c22-19-5-1-3-16(13-19)9-11-21(15-18-7-8-18)12-10-17-4-2-6-20(23)14-17/h1-6,13-14,18,22-23H,7-12,15H2
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4.60n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50250451
PNG
(CHEMBL4088589)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2|
Show InChI InChI=1S/C19H25NO3/c1-17-7-4-8-19(22-3)14-11-12-5-6-13(21)16(23-17)15(12)18(17,19)9-10-20(14)2/h5-6,14,21H,4,7-11H2,1-3H3/t14-,17+,18+,19-/m1/s1
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7.90n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50250449
PNG
(CHEMBL4065490)
Show SMILES [H][C@@]12CCC[C@@]3(OC)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:23:22:5:18.11.10|
Show InChI InChI=1S/C18H23NO3/c1-19-9-8-17-14-4-3-7-18(17,21-2)13(19)10-11-5-6-12(20)16(22-14)15(11)17/h5-6,13-14,20H,3-4,7-10H2,1-2H3/t13-,14+,17-,18-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50326662
PNG
(10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...)
Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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8.80n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50326662
PNG
(10-hydroxy-17-methoxy-4-methyl-(13R,17S)-12-oxa-4-...)
Show SMILES CO[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(C)CC[C@@]235)ccc4O |r|
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-11(20)15(14)23-16(17)12(21)5-6-18(17,22-2)13(19)9-10/h3-4,13,16,20H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
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10n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240940
PNG
(CHEMBL4084881)
Show SMILES Cl.Oc1cccc(CCN(CCc2ccccc2)C2CCC2)c1
Show InChI InChI=1S/C20H25NO/c22-20-11-4-8-18(16-20)13-15-21(19-9-5-10-19)14-12-17-6-2-1-3-7-17/h1-4,6-8,11,16,19,22H,5,9-10,12-15H2
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10n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50250451
PNG
(CHEMBL4088589)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)CCC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:22:21:15:23.3.2|
Show InChI InChI=1S/C19H25NO3/c1-17-7-4-8-19(22-3)14-11-12-5-6-13(21)16(23-17)15(12)18(17,19)9-10-20(14)2/h5-6,14,21H,4,7-11H2,1-3H3/t14-,17+,18+,19-/m1/s1
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13n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50142700
PNG
(CHEMBL326684)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)C(=O)CC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:23:22:16:2.3.24|
Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13-,17+,18+,19-/m1/s1
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15n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50240950
PNG
(CHEMBL4094512)
Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC2CCC2)cc1
Show InChI InChI=1S/C21H27NO2/c23-20-9-7-17(8-10-20)11-13-22(16-19-4-1-5-19)14-12-18-3-2-6-21(24)15-18/h2-3,6-10,15,19,23-24H,1,4-5,11-14,16H2
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16n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240944
PNG
(CHEMBL4078930)
Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC=C)c1
Show InChI InChI=1S/C19H23NO2/c1-2-11-20(12-9-16-5-3-7-18(21)14-16)13-10-17-6-4-8-19(22)15-17/h2-8,14-15,21-22H,1,9-13H2
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19n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50142700
PNG
(CHEMBL326684)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5(C)C(=O)CC[C@]1(OC)[C@@]5(CCN2C)c34 |r,TLB:23:22:16:2.3.24|
Show InChI InChI=1S/C19H23NO4/c1-17-14(22)6-7-19(23-3)13-10-11-4-5-12(21)16(24-17)15(11)18(17,19)8-9-20(13)2/h4-5,13,21H,6-10H2,1-3H3/t13-,17+,18+,19-/m1/s1
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20n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50250452
PNG
(CHEMBL4074110)
Show SMILES [H][C@@]12CCC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:22:21:5:17.10.9|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-16-13-3-2-6-17(16,20)12(18)9-10-4-5-11(19)15(21-13)14(10)16/h4-5,12-13,19-20H,2-3,6-9H2,1H3/t12-,13+,16-,17-/m1/s1
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22n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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25n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-HS665 from recombinant human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240951
PNG
(CHEMBL4102256)
Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC=C)cc1
Show InChI InChI=1S/C19H23NO2/c1-2-12-20(13-10-16-6-8-18(21)9-7-16)14-11-17-4-3-5-19(22)15-17/h2-9,15,21-22H,1,10-14H2
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44n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50001707
PNG
(10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapen...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O |TLB:14:12:8.9.10:1.3.2,THB:13:12:8.9.10:1.3.2|
Show InChI InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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70n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50240957
PNG
(CHEMBL4073160)
Show SMILES C(Cc1ccccc1)N(CCc1ccccc1)CC1CCC1
Show InChI InChI=1S/C21H27N/c1-3-8-19(9-4-1)14-16-22(18-21-12-7-13-21)17-15-20-10-5-2-6-11-20/h1-6,8-11,21H,7,12-18H2
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79n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50240958
PNG
(CHEMBL4065350)
Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)c1
Show InChI InChI=1S/C23H31NO2/c25-22-10-4-8-19(16-22)12-14-24(18-21-6-2-1-3-7-21)15-13-20-9-5-11-23(26)17-20/h4-5,8-11,16-17,21,25-26H,1-3,6-7,12-15,18H2
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167n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50240951
PNG
(CHEMBL4102256)
Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC=C)cc1
Show InChI InChI=1S/C19H23NO2/c1-2-12-20(13-10-16-6-8-18(21)9-7-16)14-11-17-4-3-5-19(22)15-17/h2-9,15,21-22H,1,10-14H2
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192n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50250452
PNG
(CHEMBL4074110)
Show SMILES [H][C@@]12CCC[C@@]3(O)[C@@]4([H])Cc5ccc(O)c(O1)c5[C@@]23CCN4C |r,TLB:22:21:5:17.10.9|
Show InChI InChI=1S/C17H21NO3/c1-18-8-7-16-13-3-2-6-17(16,20)12(18)9-10-4-5-11(19)15(21-13)14(10)16/h4-5,12-13,19-20H,2-3,6-9H2,1H3/t12-,13+,16-,17-/m1/s1
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201n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting


J Med Chem 60: 9407-9412 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01363
BindingDB Entry DOI: 10.7270/Q2PZ5C72
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50240949
PNG
(CHEMBL4073963)
Show SMILES Cl.CC(C)CCN(CCc1cccc(O)c1)CCc1cccc(O)c1
Show InChI InChI=1S/C21H29NO2/c1-17(2)9-12-22(13-10-18-5-3-7-20(23)15-18)14-11-19-6-4-8-21(24)16-19/h3-8,15-17,23-24H,9-14H2,1-2H3
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211n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50240971
PNG
(CHEMBL4096973)
Show SMILES Cl.Oc1cccc(CCN(CCc2cccc(O)c2)CC2CCC2)c1
Show InChI InChI=1S/C21H27NO2/c23-20-8-2-4-17(14-20)10-12-22(16-19-6-1-7-19)13-11-18-5-3-9-21(24)15-18/h2-5,8-9,14-15,19,23-24H,1,6-7,10-13,16H2
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230n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50240965
PNG
(CHEMBL4084291)
Show SMILES Cl.Oc1ccc(CCN(CCc2cccc(O)c2)CC2CCCCC2)cc1
Show InChI InChI=1S/C23H31NO2/c25-22-11-9-19(10-12-22)13-15-24(18-21-5-2-1-3-6-21)16-14-20-7-4-8-23(26)17-20/h4,7-12,17,21,25-26H,1-3,5-6,13-16,18H2
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234n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting method


J Med Chem 60: 7579-7590 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00981
BindingDB Entry DOI: 10.7270/Q21C202C
More data for this
Ligand-Target Pair
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