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Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'scoto' and Initial = 'gm'   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326681
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/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]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
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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0.870n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
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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1.10n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50206578
PNG
(CHEMBL222301 | cis-((+/-)-Methyl(1R,2S/1S,2R)-2-[(...)
Show SMILES COC(=O)C1(CC1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from guinea pig sigma1 opioid receptor by liquid scintillation counting


J Med Chem 53: 5881-5 (2010)


Article DOI: 10.1021/jm100116p
BindingDB Entry DOI: 10.7270/Q20K28SV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50324628
PNG
((+)-Methyl(1R,2S)-2-[(4-Hydroxy-4-phenylpiperidin-...)
Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3/t21-,24+/m1/s1
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1.90n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from guinea pig sigma1 opioid receptor by liquid scintillation counting


J Med Chem 53: 5881-5 (2010)


Article DOI: 10.1021/jm100116p
BindingDB Entry DOI: 10.7270/Q20K28SV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.10n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement radioligand form dopamine D2 receptor in rat striatum by liquid scintillation counting


Eur J Med Chem 46: 433-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.012
BindingDB Entry DOI: 10.7270/Q2FF3SN9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.20n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins


J Med Chem 54: 3669-73 (2011)


Article DOI: 10.1021/jm200144j
BindingDB Entry DOI: 10.7270/Q2V988D6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2.20n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Eur J Med Chem 46: 433-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.012
BindingDB Entry DOI: 10.7270/Q2FF3SN9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50064946
PNG
(4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...)
Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
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2.30n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Eur J Med Chem 46: 433-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.012
BindingDB Entry DOI: 10.7270/Q2FF3SN9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001683
PNG
(13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7...)
Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O
Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50343610
PNG
((+)-methyl(1R,2S)-2-{[4-(4-chlorophenyl)-4-hydroxy...)
Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H26ClNO3/c1-28-21(26)23(18-5-3-2-4-6-18)15-19(23)16-25-13-11-22(27,12-14-25)17-7-9-20(24)10-8-17/h2-10,19,27H,11-16H2,1H3/t19-,23+/m1/s1
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3.95n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins


J Med Chem 54: 3669-73 (2011)


Article DOI: 10.1021/jm200144j
BindingDB Entry DOI: 10.7270/Q2V988D6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50343612
PNG
((+)-Methyl(1R,2S)-2-[(4-Hydroxy-4-phenylpiperidin-...)
Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H27NO3/c1-27-21(25)23(19-10-6-3-7-11-19)16-20(23)17-24-14-12-22(26,13-15-24)18-8-4-2-5-9-18/h2-11,20,26H,12-17H2,1H3/t20-,23+/m1/s1
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5.02n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins


J Med Chem 54: 3669-73 (2011)


Article DOI: 10.1021/jm200144j
BindingDB Entry DOI: 10.7270/Q2V988D6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50335605
PNG
((+/-)-4-[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-y...)
Show SMILES OC1(CCN(CCCC(OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2
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5.40n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins


J Med Chem 54: 3669-73 (2011)


Article DOI: 10.1021/jm200144j
BindingDB Entry DOI: 10.7270/Q2V988D6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50343611
PNG
((-)-(1S,2R)-methyl 2-((4-(4-chlorophenyl)-4-hydrox...)
Show SMILES COC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H26ClNO3/c1-28-21(26)23(18-5-3-2-4-6-18)15-19(23)16-25-13-11-22(27,12-14-25)17-7-9-20(24)10-8-17/h2-10,19,27H,11-16H2,1H3/t19-,23+/m0/s1
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5.61n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins


J Med Chem 54: 3669-73 (2011)


Article DOI: 10.1021/jm200144j
BindingDB Entry DOI: 10.7270/Q2V988D6
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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5.80n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement radioligand form dopamine D3 receptor in rat olfactory tubercle by liquid scintillation counting


Eur J Med Chem 46: 433-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.012
BindingDB Entry DOI: 10.7270/Q2FF3SN9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50343613
PNG
((-)-Methyl(1S,2R)-2-[(4-Hydroxy-4-phenylpiperidin-...)
Show SMILES COC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H27NO3/c1-27-21(25)23(19-10-6-3-7-11-19)16-20(23)17-24-14-12-22(26,13-15-24)18-8-4-2-5-9-18/h2-11,20,26H,12-17H2,1H3/t20-,23+/m0/s1
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7.01n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins


J Med Chem 54: 3669-73 (2011)


Article DOI: 10.1021/jm200144j
BindingDB Entry DOI: 10.7270/Q2V988D6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50324629
PNG
((-)-Methyl(1S,2R)-2-[(4-Hydroxy-4-phenylpiperidin-...)
Show SMILES COC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C24H29NO3/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19/h3-11,21,27H,12-17H2,1-2H3/t21-,24+/m0/s1
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13n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from guinea pig sigma1 opioid receptor by liquid scintillation counting


J Med Chem 53: 5881-5 (2010)


Article DOI: 10.1021/jm100116p
BindingDB Entry DOI: 10.7270/Q20K28SV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326681
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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29n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from Sprague-Dawley rat delta opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50343614
PNG
((+)-Methyl(1R,2S)-2-{[(3-endo)-3-(4-Chlorophenyl)-...)
Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1[C@@H]2CC[C@@H]1CC(O)(C2)c1ccc(Cl)cc1)c1ccccc1 |r,TLB:7:8:14.16.13:10.11,THB:15:14:8:10.11|
Show InChI InChI=1S/C25H28ClNO3/c1-30-23(28)25(18-5-3-2-4-6-18)13-19(25)16-27-21-11-12-22(27)15-24(29,14-21)17-7-9-20(26)10-8-17/h2-10,19,21-22,29H,11-16H2,1H3/t19-,21-,22-,25+/m1/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]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins


J Med Chem 54: 3669-73 (2011)


Article DOI: 10.1021/jm200144j
BindingDB Entry DOI: 10.7270/Q2V988D6
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326682
PNG
(CHEMBL1254768 | N-Cyclohexyl-3-[(2R,6R,11R)-8-hydr...)
Show SMILES C[C@H]1CN(CCC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H34N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h8-9,13,16,18-19,26H,3-7,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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56n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326683
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H30N2O2/c1-17-16-26(12-11-23(28)25(3)19-7-5-4-6-8-19)20-13-18-9-10-21(27)14-22(18)24(17,2)15-20/h4-10,14,17,20,27H,11-13,15-16H2,1-3H3/t17-,20?,24+/m0/s1
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65n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM81982
PNG
(CAS_97-39-2 | DITOLYLGUANIDINE | DTG | Di-o-tolylg...)
Show SMILES Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|
Show InChI InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
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69.4n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins


J Med Chem 54: 3669-73 (2011)


Article DOI: 10.1021/jm200144j
BindingDB Entry DOI: 10.7270/Q2V988D6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326684
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES CCN(C(=O)CCN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
Show InChI InChI=1S/C25H32N2O2/c1-4-27(20-8-6-5-7-9-20)24(29)12-13-26-17-18(2)25(3)16-21(26)14-19-10-11-22(28)15-23(19)25/h5-11,15,18,21,28H,4,12-14,16-17H2,1-3H3/t18-,21?,25+/m0/s1
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70n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326685
PNG
(CHEMBL1254858 | N-Benzyl-3-[(2R,6R,11R)-8-hydroxy-...)
Show SMILES C[C@H]1CN(CCC(=O)NCc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H30N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h3-9,13,17,20,27H,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1
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105n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326686
PNG
(CHEMBL1254940 | N-(Cyclohexylmethyl)-3-[(2R,6R,11R...)
Show SMILES C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H36N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h8-9,13,17-18,20,27H,3-7,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1
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107n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326681
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h3-9,13,16,19,26H,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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110n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326686
PNG
(CHEMBL1254940 | N-(Cyclohexylmethyl)-3-[(2R,6R,11R...)
Show SMILES C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H36N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h8-9,13,17-18,20,27H,3-7,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1
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134n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326684
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES CCN(C(=O)CCN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
Show InChI InChI=1S/C25H32N2O2/c1-4-27(20-8-6-5-7-9-20)24(29)12-13-26-17-18(2)25(3)16-21(26)14-19-10-11-22(28)15-23(19)25/h5-11,15,18,21,28H,4,12-14,16-17H2,1-3H3/t18-,21?,25+/m0/s1
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136n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50335605
PNG
((+/-)-4-[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-y...)
Show SMILES OC1(CCN(CCCC(OC(=O)CCCc2ccccc2)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H35ClFNO3/c32-27-15-13-26(14-16-27)31(36)19-22-34(23-20-31)21-5-9-29(25-11-17-28(33)18-12-25)37-30(35)10-4-8-24-6-2-1-3-7-24/h1-3,6-7,11-18,29,36H,4-5,8-10,19-23H2
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162n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting


Eur J Med Chem 46: 433-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.012
BindingDB Entry DOI: 10.7270/Q2FF3SN9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50343617
PNG
((-)-Methyl(1S,2R)-2-{[(1R,5S/1S,5R)-3-(4-Chlorophe...)
Show SMILES COC(=O)[C@]1(C[C@H]1CN1C2CCC1C=C(C2)c1ccc(Cl)cc1)c1ccccc1 |r,c:15,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C25H26ClNO2/c1-29-24(28)25(19-5-3-2-4-6-19)15-20(25)16-27-22-11-12-23(27)14-18(13-22)17-7-9-21(26)10-8-17/h2-10,13,20,22-23H,11-12,14-16H2,1H3/t20-,22?,23?,25+/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]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins


J Med Chem 54: 3669-73 (2011)


Article DOI: 10.1021/jm200144j
BindingDB Entry DOI: 10.7270/Q2V988D6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50064946
PNG
(4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...)
Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
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232n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement radioligand form dopamine D2 receptor in rat striatum by liquid scintillation counting


Eur J Med Chem 46: 433-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.012
BindingDB Entry DOI: 10.7270/Q2FF3SN9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326685
PNG
(CHEMBL1254858 | N-Benzyl-3-[(2R,6R,11R)-8-hydroxy-...)
Show SMILES C[C@H]1CN(CCC(=O)NCc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H30N2O2/c1-17-16-26(11-10-23(28)25-15-18-6-4-3-5-7-18)20-12-19-8-9-21(27)13-22(19)24(17,2)14-20/h3-9,13,17,20,27H,10-12,14-16H2,1-2H3,(H,25,28)/t17-,20?,24+/m0/s1
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237n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326683
PNG
(3-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CCC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C24H30N2O2/c1-17-16-26(12-11-23(28)25(3)19-7-5-4-6-8-19)20-13-18-9-10-21(27)14-22(18)24(17,2)15-20/h4-10,14,17,20,27H,11-13,15-16H2,1-3H3/t17-,20?,24+/m0/s1
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261n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326691
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES CCN(C(=O)CN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
Show InChI InChI=1S/C24H30N2O2/c1-4-26(19-8-6-5-7-9-19)23(28)16-25-15-17(2)24(3)14-20(25)12-18-10-11-21(27)13-22(18)24/h5-11,13,17,20,27H,4,12,14-16H2,1-3H3/t17-,20?,24+/m0/s1
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335n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326690
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-14-25(15-22(27)24(3)18-7-5-4-6-8-18)19-11-17-9-10-20(26)12-21(17)23(16,2)13-19/h4-10,12,16,19,26H,11,13-15H2,1-3H3/t16-,19?,23+/m0/s1
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339n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326687
PNG
(CHEMBL1254941 | N-(tert-Butyl)-3-[(2R,6R,11R)-8-hy...)
Show SMILES C[C@H]1CN(CCC(=O)NC(C)(C)C)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C21H32N2O2/c1-14-13-23(9-8-19(25)22-20(2,3)4)16-10-15-6-7-17(24)11-18(15)21(14,5)12-16/h6-7,11,14,16,24H,8-10,12-13H2,1-5H3,(H,22,25)/t14-,16?,21+/m0/s1
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372n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50343616
PNG
((+)-Methyl(1R,2S)-2-{[(1R,5S/1S,5R)-3-(4-Chlorophe...)
Show SMILES COC(=O)[C@@]1(C[C@@H]1CN1C2CCC1C=C(C2)c1ccc(Cl)cc1)c1ccccc1 |r,c:15,TLB:7:8:14.15.13:10.11,THB:16:14:8:10.11|
Show InChI InChI=1S/C25H26ClNO2/c1-29-24(28)25(19-5-3-2-4-6-19)15-20(25)16-27-22-11-12-23(27)14-18(13-22)17-7-9-21(26)10-8-17/h2-10,13,20,22-23H,11-12,14-16H2,1H3/t20-,22?,23?,25+/m1/s1
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397n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins


J Med Chem 54: 3669-73 (2011)


Article DOI: 10.1021/jm200144j
BindingDB Entry DOI: 10.7270/Q2V988D6
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50427884
PNG
(CHEMBL2324613)
Show SMILES O=C(CCCCC1CCSS1)N1CCN(CC1)C1CCCCC1
Show InChI InChI=1S/C18H32N2OS2/c21-18(9-5-4-8-17-10-15-22-23-17)20-13-11-19(12-14-20)16-6-2-1-3-7-16/h16-17H,1-15H2
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400n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis


J Med Chem 56: 2447-55 (2013)


Article DOI: 10.1021/jm3017893
BindingDB Entry DOI: 10.7270/Q2KW5HDB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326687
PNG
(CHEMBL1254941 | N-(tert-Butyl)-3-[(2R,6R,11R)-8-hy...)
Show SMILES C[C@H]1CN(CCC(=O)NC(C)(C)C)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C21H32N2O2/c1-14-13-23(9-8-19(25)22-20(2,3)4)16-10-15-6-7-17(24)11-18(15)21(14,5)12-16/h6-7,11,14,16,24H,8-10,12-13H2,1-5H3,(H,22,25)/t14-,16?,21+/m0/s1
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422n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326682
PNG
(CHEMBL1254768 | N-Cyclohexyl-3-[(2R,6R,11R)-8-hydr...)
Show SMILES C[C@H]1CN(CCC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H34N2O2/c1-16-15-25(11-10-22(27)24-18-6-4-3-5-7-18)19-12-17-8-9-20(26)13-21(17)23(16,2)14-19/h8-9,13,16,18-19,26H,3-7,10-12,14-15H2,1-2H3,(H,24,27)/t16-,19?,23+/m0/s1
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501n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50343615
PNG
((-)-Methyl(1S,2R)-2-{[(3-endo)-3-(4-Chlorophenyl)-...)
Show SMILES COC(=O)[C@]1(C[C@H]1CN1[C@@H]2CC[C@@H]1CC(O)(C2)c1ccc(Cl)cc1)c1ccccc1 |r,TLB:7:8:14.16.13:10.11,THB:15:14:8:10.11|
Show InChI InChI=1S/C25H28ClNO3/c1-30-23(28)25(18-5-3-2-4-6-18)13-19(25)16-27-21-11-12-22(27)15-24(29,14-21)17-7-9-20(26)10-8-17/h2-10,19,21-22,29H,11-16H2,1H3/t19-,21+,22+,25+/m0/s1
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520n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 150 mins


J Med Chem 54: 3669-73 (2011)


Article DOI: 10.1021/jm200144j
BindingDB Entry DOI: 10.7270/Q2V988D6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50326689
PNG
(CHEMBL1255026 | N-Cyclohexyl-2-[(2R,6R,11R)-8-hydr...)
Show SMILES C[C@H]1CN(CC(=O)NC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C22H32N2O2/c1-15-13-24(14-21(26)23-17-6-4-3-5-7-17)18-10-16-8-9-19(25)11-20(16)22(15,2)12-18/h8-9,11,15,17-18,25H,3-7,10,12-14H2,1-2H3,(H,23,26)/t15-,18?,22+/m0/s1
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612n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from Sprague-Dawley rat kappa opioid receptor in guinea pig cerebella by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326688
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CC(=O)Nc2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C22H26N2O2/c1-15-13-24(14-21(26)23-17-6-4-3-5-7-17)18-10-16-8-9-19(25)11-20(16)22(15,2)12-18/h3-9,11,15,18,25H,10,12-14H2,1-2H3,(H,23,26)/t15-,18?,22+/m0/s1
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722n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Rattus norvegicus (Rat))
BDBM50064946
PNG
(4-(4-Chloro-phenyl)-1-[4-(4-fluoro-phenyl)-4-hydro...)
Show SMILES OC(CCCN1CCC(O)(CC1)c1ccc(Cl)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,20,25-26H,1-2,11-15H2
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1.10E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement radioligand form dopamine D3 receptor in rat olfactory tubercle by liquid scintillation counting


Eur J Med Chem 46: 433-8 (2010)


Article DOI: 10.1016/j.ejmech.2010.10.012
BindingDB Entry DOI: 10.7270/Q2FF3SN9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326691
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES CCN(C(=O)CN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc21)c1ccccc1 |r|
Show InChI InChI=1S/C24H30N2O2/c1-4-26(19-8-6-5-7-9-19)23(28)16-25-15-17(2)24(3)14-20(25)12-18-10-11-21(27)13-22(18)24/h5-11,13,17,20,27H,4,12,14-16H2,1-3H3/t17-,20?,24+/m0/s1
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1.12E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50427880
PNG
(CHEMBL2324619)
Show SMILES O=C(CCCCC1CCSS1)OC1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C20H35NO2S2/c22-20(9-5-4-8-19-12-15-24-25-19)23-18-10-13-21(14-11-18)16-17-6-2-1-3-7-17/h17-19H,1-16H2
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1.14E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis


J Med Chem 56: 2447-55 (2013)


Article DOI: 10.1021/jm3017893
BindingDB Entry DOI: 10.7270/Q2KW5HDB
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50427876
PNG
(CHEMBL2324614)
Show SMILES O=C(CCCCC1CCSS1)N1CCN(CC2CCCCC2)CC1
Show InChI InChI=1S/C19H34N2OS2/c22-19(9-5-4-8-18-10-15-23-24-18)21-13-11-20(12-14-21)16-17-6-2-1-3-7-17/h17-18H,1-16H2
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1.25E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in human jurkat cell membrane after 2 hrs by liquid scintillation counting analysis in pres...


J Med Chem 56: 2447-55 (2013)


Article DOI: 10.1021/jm3017893
BindingDB Entry DOI: 10.7270/Q2KW5HDB
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50326690
PNG
(2-[(2R,6R,11R)-8-Hydroxy-6,11-dimethyl-1,4,5,6-tet...)
Show SMILES C[C@H]1CN(CC(=O)N(C)c2ccccc2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 |r|
Show InChI InChI=1S/C23H28N2O2/c1-16-14-25(15-22(27)24(3)18-7-5-4-6-8-18)19-11-17-9-10-20(26)12-21(17)23(16,2)13-19/h4-10,12,16,19,26H,11,13-15H2,1-3H3/t16-,19?,23+/m0/s1
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1.37E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
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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1.75E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from Sprague-Dawley rat mu opioid receptor by liquid scintillation counting


Bioorg Med Chem 18: 4975-82 (2010)


Article DOI: 10.1016/j.bmc.2010.06.005
BindingDB Entry DOI: 10.7270/Q2P84CW9
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50427883
PNG
(CHEMBL2324616)
Show SMILES O=C(CCCCC1CCSS1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C19H28N2OS2/c22-19(9-5-4-8-18-10-15-23-24-18)21-13-11-20(12-14-21)16-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2
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1.80E+3n/an/an/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting analysis


J Med Chem 56: 2447-55 (2013)


Article DOI: 10.1021/jm3017893
BindingDB Entry DOI: 10.7270/Q2KW5HDB
More data for this
Ligand-Target Pair
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