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Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 50000130   
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
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
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
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
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))
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))
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))
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))
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))
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))
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
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
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
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
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
Mu-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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259n/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))
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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274n/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))
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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358n/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))
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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398n/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))
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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428n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting met...


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))
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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460n/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))
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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463n/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))
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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523n/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))
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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537n/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))
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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557n/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))
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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584n/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))
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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631n/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))
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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670n/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))
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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738n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting met...


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))
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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851n/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))
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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1.07E+3n/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))
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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1.10E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting met...


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))
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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1.31E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting met...


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))
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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1.43E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand


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))
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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1.47E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting met...


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))
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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1.64E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting met...


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))
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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1.86E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting met...


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))
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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2.14E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting met...


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))
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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2.18E+3n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting met...


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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