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Compile Data Set for Download or QSAR

Found 76 hits with Last Name = 'pallaki' and Initial = 'p'   
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


(Cavia porcellus (domestic guinea pig))
BDBM50000296
PNG
(CHEMBL441765 | CHEMBL482811 | U-50488H | US1149237...)
Show SMILES CN([C@@H]1CCCC[C@H]1N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1
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0.270n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50370067
PNG
(CHEMBL1237164)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccccc2c1C[C@@]35O |r,TLB:28:29:7.12.13:4.5.18,30:29:7.12.13:4.5.18|
Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
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0.830n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM21015
PNG
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)
Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)/t17-,21+,22+/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540611
PNG
(CHEMBL4643466)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C23H30N2O/c1-17-22-15-18-9-10-20(26)16-21(18)23(17,2)11-12-25(22)14-13-24(3)19-7-5-4-6-8-19/h4-10,16-17,22,26H,11-15H2,1-3H3/t17-,22+,23+/m0/s1
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6.10n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540598
PNG
(CHEMBL4633897)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1c(C)cccc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C25H32N2O2/c1-16-6-5-7-17(2)24(16)26-23(29)10-12-27-13-11-25(4)18(3)22(27)14-19-8-9-20(28)15-21(19)25/h5-9,15,18,22,28H,10-14H2,1-4H3,(H,26,29)/t18-,22+,25+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540602
PNG
(CHEMBL4642448)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cc(C)ccc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C25H32N2O2/c1-16-5-6-17(2)22(13-16)26-24(29)9-11-27-12-10-25(4)18(3)23(27)14-19-7-8-20(28)15-21(19)25/h5-8,13,15,18,23,28H,9-12,14H2,1-4H3,(H,26,29)/t18-,23+,25+/m0/s1
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7.90n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540601
PNG
(CHEMBL4641938)
Show SMILES CCc1cccc(C)c1NC(=O)CCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:13:14:19:23.29.22|
Show InChI InChI=1S/C26H34N2O2/c1-5-19-8-6-7-17(2)25(19)27-24(30)11-13-28-14-12-26(4)18(3)23(28)15-20-9-10-21(29)16-22(20)26/h6-10,16,18,23,29H,5,11-15H2,1-4H3,(H,27,30)/t18-,23+,26+/m0/s1
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15n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540600
PNG
(CHEMBL4638339)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C25H32N2O2/c1-16-5-8-22(17(2)13-16)26-24(29)9-11-27-12-10-25(4)18(3)23(27)14-19-6-7-20(28)15-21(19)25/h5-8,13,15,18,23,28H,9-12,14H2,1-4H3,(H,26,29)/t18-,23+,25+/m0/s1
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21n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50540611
PNG
(CHEMBL4643466)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C23H30N2O/c1-17-22-15-18-9-10-20(26)16-21(18)23(17,2)11-12-25(22)14-13-24(3)19-7-5-4-6-8-19/h4-10,16-17,22,26H,11-15H2,1-3H3/t17-,22+,23+/m0/s1
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31n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50142692
PNG
(CHEMBL3759092)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2|
Show InChI InChI=1S/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/m0/s1
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33n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50168141
PNG
(CHEMBL3797228)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/m0/s1
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38n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540599
PNG
(CHEMBL4637982)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1c(C)cc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C26H34N2O2/c1-16-12-17(2)25(18(3)13-16)27-24(30)8-10-28-11-9-26(5)19(4)23(28)14-20-6-7-21(29)15-22(20)26/h6-7,12-13,15,19,23,29H,8-11,14H2,1-5H3,(H,27,30)/t19-,23+,26+/m0/s1
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44n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50142692
PNG
(CHEMBL3759092)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccccc1)[C@H]2C |r,THB:8:9:26:12.14.13,15:14:26:3.9.2|
Show InChI InChI=1S/C23H28N2O2/c1-16-21-14-17-8-9-19(26)15-20(17)23(16,2)11-13-25(21)12-10-22(27)24-18-6-4-3-5-7-18/h3-9,15-16,21,26H,10-14H2,1-2H3,(H,24,27)/t16-,21+,23+/m0/s1
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49n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50168140
PNG
(CHEMBL3797702)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cnccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C26H29N3O2/c1-17-24-14-18-6-7-20(30)15-22(18)26(17,2)10-13-29(24)12-9-25(31)28-23-5-3-4-19-16-27-11-8-21(19)23/h3-8,11,15-17,24,30H,9-10,12-14H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1
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50n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540609
PNG
(CHEMBL4638139)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1ccc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C24H32N2O/c1-16-5-8-22(17(2)13-16)25-10-12-26-11-9-24(4)18(3)23(26)14-19-6-7-20(27)15-21(19)24/h5-8,13,15,18,23,25,27H,9-12,14H2,1-4H3/t18-,23+,24+/m0/s1
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129n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540611
PNG
(CHEMBL4643466)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(C)c1ccccc1 |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C23H30N2O/c1-17-22-15-18-9-10-20(26)16-21(18)23(17,2)11-12-25(22)14-13-24(3)19-7-5-4-6-8-19/h4-10,16-17,22,26H,11-15H2,1-3H3/t17-,22+,23+/m0/s1
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147n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50540607
PNG
(CHEMBL4648293)
Show SMILES CCc1cccc(C)c1N(Cc1ccccc1)C(=O)CCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:20:21:26:30.36.29|
Show InChI InChI=1S/C33H40N2O2/c1-5-26-13-9-10-23(2)32(26)35(22-25-11-7-6-8-12-25)31(37)16-18-34-19-17-33(4)24(3)30(34)20-27-14-15-28(36)21-29(27)33/h6-15,21,24,30,36H,5,16-20,22H2,1-4H3/t24-,30+,33+/m0/s1
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151n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540606
PNG
(CHEMBL4644789)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N(Cc1ccccc1)c1ccc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C32H38N2O2/c1-22-10-13-29(23(2)18-22)34(21-25-8-6-5-7-9-25)31(36)14-16-33-17-15-32(4)24(3)30(33)19-26-11-12-27(35)20-28(26)32/h5-13,18,20,24,30,35H,14-17,19,21H2,1-4H3/t24-,30+,32+/m0/s1
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165n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50168140
PNG
(CHEMBL3797702)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cnccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C26H29N3O2/c1-17-24-14-18-6-7-20(30)15-22(18)26(17,2)10-13-29(24)12-9-25(31)28-23-5-3-4-19-16-27-11-8-21(19)23/h3-8,11,15-17,24,30H,9-10,12-14H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1
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180n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540610
PNG
(CHEMBL4644522)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1cc(C)ccc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C24H32N2O/c1-16-5-6-17(2)22(13-16)25-10-12-26-11-9-24(4)18(3)23(26)14-19-7-8-20(27)15-21(19)24/h5-8,13,15,18,23,25,27H,9-12,14H2,1-4H3/t18-,23+,24+/m0/s1
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182n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540601
PNG
(CHEMBL4641938)
Show SMILES CCc1cccc(C)c1NC(=O)CCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:13:14:19:23.29.22|
Show InChI InChI=1S/C26H34N2O2/c1-5-19-8-6-7-17(2)25(19)27-24(30)11-13-28-14-12-26(4)18(3)23(28)15-20-9-10-21(29)16-22(20)26/h6-10,16,18,23,29H,5,11-15H2,1-4H3,(H,27,30)/t18-,23+,26+/m0/s1
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198n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50168141
PNG
(CHEMBL3797228)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/m0/s1
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210n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50168136
PNG
(CHEMBL3798175)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cccnc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C26H29N3O2/c1-17-23-15-19-8-9-20(30)16-21(19)26(17,2)11-14-29(23)13-10-24(31)28-22-7-3-5-18-6-4-12-27-25(18)22/h3-9,12,16-17,23,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,23+,26+/m0/s1
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230n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540608
PNG
(CHEMBL4634899)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(Cc1ccccc1)c1ccccc1 |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C29H34N2O/c1-22-28-19-24-13-14-26(32)20-27(24)29(22,2)15-16-30(28)17-18-31(25-11-7-4-8-12-25)21-23-9-5-3-6-10-23/h3-14,20,22,28,32H,15-19,21H2,1-2H3/t22-,28+,29+/m0/s1
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244n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50540598
PNG
(CHEMBL4633897)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1c(C)cccc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C25H32N2O2/c1-16-6-5-7-17(2)24(16)26-23(29)10-12-27-13-11-25(4)18(3)22(27)14-19-8-9-20(28)15-21(19)25/h5-9,15,18,22,28H,10-14H2,1-4H3,(H,26,29)/t18-,22+,25+/m0/s1
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252n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540598
PNG
(CHEMBL4633897)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1c(C)cccc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C25H32N2O2/c1-16-6-5-7-17(2)24(16)26-23(29)10-12-27-13-11-25(4)18(3)22(27)14-19-8-9-20(28)15-21(19)25/h5-9,15,18,22,28H,10-14H2,1-4H3,(H,26,29)/t18-,22+,25+/m0/s1
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277n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50168138
PNG
(CHEMBL3797616)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ncccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C26H29N3O2/c1-17-24-15-18-8-9-19(30)16-21(18)26(17,2)11-14-29(24)13-10-25(31)28-23-7-3-6-22-20(23)5-4-12-27-22/h3-9,12,16-17,24,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1
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310n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50540599
PNG
(CHEMBL4637982)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1c(C)cc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C26H34N2O2/c1-16-12-17(2)25(18(3)13-16)27-24(30)8-10-28-11-9-26(5)19(4)23(28)14-20-6-7-21(29)15-22(20)26/h6-7,12-13,15,19,23,29H,8-11,14H2,1-5H3,(H,27,30)/t19-,23+,26+/m0/s1
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313n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50540601
PNG
(CHEMBL4641938)
Show SMILES CCc1cccc(C)c1NC(=O)CCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:13:14:19:23.29.22|
Show InChI InChI=1S/C26H34N2O2/c1-5-19-8-6-7-17(2)25(19)27-24(30)11-13-28-14-12-26(4)18(3)23(28)15-20-9-10-21(29)16-22(20)26/h6-10,16,18,23,29H,5,11-15H2,1-4H3,(H,27,30)/t18-,23+,26+/m0/s1
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320n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50168137
PNG
(CHEMBL3799570)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1ccc3ncccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C26H29N3O2/c1-17-24-15-18-5-7-21(30)16-22(18)26(17,2)10-13-29(24)12-9-25(31)28-20-6-8-23-19(14-20)4-3-11-27-23/h3-8,11,14,16-17,24,30H,9-10,12-13,15H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1
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330n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50540600
PNG
(CHEMBL4638339)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C25H32N2O2/c1-16-5-8-22(17(2)13-16)26-24(29)9-11-27-12-10-25(4)18(3)23(27)14-19-6-7-20(28)15-21(19)25/h5-8,13,15,18,23,28H,9-12,14H2,1-4H3,(H,26,29)/t18-,23+,25+/m0/s1
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340n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540604
PNG
(CHEMBL4638553)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N(Cc1ccccc1)c1c(C)cccc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C32H38N2O2/c1-22-9-8-10-23(2)31(22)34(21-25-11-6-5-7-12-25)30(36)15-17-33-18-16-32(4)24(3)29(33)19-26-13-14-27(35)20-28(26)32/h5-14,20,24,29,35H,15-19,21H2,1-4H3/t24-,29+,32+/m0/s1
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400n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50540605
PNG
(CHEMBL4647583)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N(Cc1ccccc1)c1c(C)cc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C33H40N2O2/c1-22-17-23(2)32(24(3)18-22)35(21-26-9-7-6-8-10-26)31(37)13-15-34-16-14-33(5)25(4)30(34)19-27-11-12-28(36)20-29(27)33/h6-12,17-18,20,25,30,36H,13-16,19,21H2,1-5H3/t25-,30+,33+/m0/s1
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444n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540600
PNG
(CHEMBL4638339)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1ccc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C25H32N2O2/c1-16-5-8-22(17(2)13-16)26-24(29)9-11-27-12-10-25(4)18(3)23(27)14-19-6-7-20(28)15-21(19)25/h5-8,13,15,18,23,28H,9-12,14H2,1-4H3,(H,26,29)/t18-,23+,25+/m0/s1
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474n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540602
PNG
(CHEMBL4642448)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cc(C)ccc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C25H32N2O2/c1-16-5-6-17(2)22(13-16)26-24(29)9-11-27-12-10-25(4)18(3)23(27)14-19-7-8-20(28)15-21(19)25/h5-8,13,15,18,23,28H,9-12,14H2,1-4H3,(H,26,29)/t18-,23+,25+/m0/s1
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478n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50540602
PNG
(CHEMBL4642448)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1cc(C)ccc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C25H32N2O2/c1-16-5-6-17(2)22(13-16)26-24(29)9-11-27-12-10-25(4)18(3)23(27)14-19-7-8-20(28)15-21(19)25/h5-8,13,15,18,23,28H,9-12,14H2,1-4H3,(H,26,29)/t18-,23+,25+/m0/s1
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PubMed
480n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540605
PNG
(CHEMBL4647583)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N(Cc1ccccc1)c1c(C)cc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C33H40N2O2/c1-22-17-23(2)32(24(3)18-22)35(21-26-9-7-6-8-10-26)31(37)13-15-34-16-14-33(5)25(4)30(34)19-27-11-12-28(36)20-29(27)33/h6-12,17-18,20,25,30,36H,13-16,19,21H2,1-5H3/t25-,30+,33+/m0/s1
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504n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50168136
PNG
(CHEMBL3798175)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cccnc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C26H29N3O2/c1-17-23-15-19-8-9-20(30)16-21(19)26(17,2)11-14-29(23)13-10-24(31)28-22-7-3-5-18-6-4-12-27-25(18)22/h3-9,12,16-17,23,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,23+,26+/m0/s1
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540n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540603
PNG
(CHEMBL4647736)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N(Cc1ccccc1)c1ccccc1 |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C30H34N2O2/c1-22-28-19-24-13-14-26(33)20-27(24)30(22,2)16-18-31(28)17-15-29(34)32(25-11-7-4-8-12-25)21-23-9-5-3-6-10-23/h3-14,20,22,28,33H,15-19,21H2,1-2H3/t22-,28+,30+/m0/s1
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606n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50168139
PNG
(CHEMBL3800620)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cnc3ccccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C26H29N3O2/c1-17-24-14-18-7-8-21(30)15-22(18)26(17,2)10-12-29(24)11-9-25(31)28-20-13-19-5-3-4-6-23(19)27-16-20/h3-8,13,15-17,24,30H,9-12,14H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1
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740n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat DOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50168141
PNG
(CHEMBL3797228)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ccccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C27H30N2O2/c1-18-25-16-20-10-11-21(30)17-23(20)27(18,2)13-15-29(25)14-12-26(31)28-24-9-5-7-19-6-3-4-8-22(19)24/h3-11,17-18,25,30H,12-16H2,1-2H3,(H,28,31)/t18-,25+,27+/m0/s1
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800n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from human KOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50540609
PNG
(CHEMBL4638139)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1ccc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C24H32N2O/c1-16-5-8-22(17(2)13-16)25-10-12-26-11-9-24(4)18(3)23(26)14-19-6-7-20(27)15-21(19)24/h5-8,13,15,18,23,25,27H,9-12,14H2,1-4H3/t18-,23+,24+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540608
PNG
(CHEMBL4634899)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCN(Cc1ccccc1)c1ccccc1 |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C29H34N2O/c1-22-28-19-24-13-14-26(32)20-27(24)29(22,2)15-16-30(28)17-18-31(25-11-7-4-8-12-25)21-23-9-5-3-6-10-23/h3-14,20,22,28,32H,15-19,21H2,1-2H3/t22-,28+,29+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50168139
PNG
(CHEMBL3800620)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cnc3ccccc3c1)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C26H29N3O2/c1-17-24-14-18-7-8-21(30)15-22(18)26(17,2)10-12-29(24)11-9-25(31)28-20-13-19-5-3-4-6-23(19)27-16-20/h3-8,13,15-17,24,30H,9-12,14H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1
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1.19E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPN from rat MOR expressed in EE-HEK293 cell membranes by liquid scintillation counting


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50168138
PNG
(CHEMBL3797616)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3ncccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C26H29N3O2/c1-17-24-15-18-8-9-19(30)16-21(18)26(17,2)11-14-29(24)13-10-25(31)28-23-7-3-6-22-20(23)5-4-12-27-22/h3-9,12,16-17,24,30H,10-11,13-15H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1
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1.54E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540607
PNG
(CHEMBL4648293)
Show SMILES CCc1cccc(C)c1N(Cc1ccccc1)C(=O)CCN1CC[C@]2(C)[C@@H](C)[C@H]1Cc1ccc(O)cc21 |r,TLB:20:21:26:30.36.29|
Show InChI InChI=1S/C33H40N2O2/c1-5-26-13-9-10-23(2)32(26)35(22-25-11-7-6-8-12-25)31(37)16-18-34-19-17-33(4)24(3)30(34)20-27-14-15-28(36)21-29(27)33/h6-15,21,24,30,36H,5,16-20,22H2,1-4H3/t24-,30+,33+/m0/s1
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1.54E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-DAMGO from MOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50540599
PNG
(CHEMBL4637982)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)Nc1c(C)cc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C26H34N2O2/c1-16-12-17(2)25(18(3)13-16)27-24(30)8-10-28-11-9-26(5)19(4)23(28)14-20-6-7-21(29)15-22(20)26/h6-7,12-13,15,19,23,29H,8-11,14H2,1-5H3,(H,27,30)/t19-,23+,26+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from DOR in rat brain membranes incubated for 45 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50540610
PNG
(CHEMBL4644522)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCNc1cc(C)ccc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C24H32N2O/c1-16-5-6-17(2)22(13-16)25-10-12-26-11-9-24(4)18(3)23(26)14-19-7-8-20(27)15-21(19)24/h5-8,13,15,18,23,25,27H,9-12,14H2,1-4H3/t18-,23+,24+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50540606
PNG
(CHEMBL4644789)
Show SMILES C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N(Cc1ccccc1)c1ccc(C)cc1C |r,TLB:16:15:1:4.10.3|
Show InChI InChI=1S/C32H38N2O2/c1-22-10-13-29(23(2)18-22)34(21-25-8-6-5-7-9-25)31(36)14-16-33-17-15-32(4)24(3)30(33)19-26-11-12-27(35)20-28(26)32/h5-13,18,20,24,30,35H,14-17,19,21H2,1-4H3/t24-,30+,32+/m0/s1
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>2.00E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-U69,593 from KOR in guinea pig brain membranes incubated for 30 mins by liquid scintillation counting


ACS Med Chem Lett 11: 678-685 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00549
BindingDB Entry DOI: 10.7270/Q2Q81HMJ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50168140
PNG
(CHEMBL3797702)
Show SMILES [H][C@]12Cc3ccc(O)cc3[C@](C)(CCN1CCC(=O)Nc1cccc3cnccc13)[C@H]2C |r,THB:8:9:30:14.13.12,15:14:30:3.9.2|
Show InChI InChI=1S/C26H29N3O2/c1-17-24-14-18-6-7-20(30)15-22(18)26(17,2)10-13-29(24)12-9-25(31)28-23-5-3-4-19-16-27-11-8-21(19)23/h3-8,11,15-17,24,30H,9-10,12-14H2,1-2H3,(H,28,31)/t17-,24+,26+/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Activity at human KOR expressed in EE-HEK293 cells assessed as pEC50 for effect on (-)U50,488H-induced response (Rvb = 6.2 +/- 0.04 No_unit)


Bioorg Med Chem 24: 2832-42 (2016)


Article DOI: 10.1016/j.bmc.2016.05.005
BindingDB Entry DOI: 10.7270/Q2VH5QR0
More data for this
Ligand-Target Pair
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