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Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'brunetti' and Initial = 'l'   
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
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50128107
PNG
(1-[2-(4-Chloro-phenoxy)-1-methyl-ethyl]-4-methyl-p...)
Show SMILES C[C@@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1
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0.340n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM82247
PNG
(8-Chloro-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-b...)
Show SMILES CN1CCc2cc(Cl)c(O)cc2[C@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C17H18ClNO/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12/h2-6,9-10,15,20H,7-8,11H2,1H3/t15-/m1/s1
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0.741n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D1 in rat striatal membranes using [3H]- SCH 23390 radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50128110
PNG
(1-[2-(4-Chloro-phenoxy)-ethyl]-4-methyl-piperidine...)
Show SMILES CC1CCN(CCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C14H20ClNO/c1-12-6-8-16(9-7-12)10-11-17-14-4-2-13(15)3-5-14/h2-5,12H,6-11H2,1H3
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0.860n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50585434
PNG
(CHEMBL5093782)
Show SMILES Cl.COc1ccc(OCCN2CCC(C)CC2)cc1
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0.890n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50585435
PNG
(CHEMBL5083713)
Show SMILES Cl.COc1ccc(OC[C@@H](C)N2CCC(C)CC2)cc1 |r|
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1.20n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50128108
PNG
(1-[2-(4-Chloro-phenoxy)-1-methyl-ethyl]-4-methyl-p...)
Show SMILES C[C@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m1/s1
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1.20n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50585436
PNG
(CHEMBL5080230)
Show SMILES Cl.COc1ccc(OC[C@H](C)N2CCC(C)CC2)cc1 |r|
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1.5n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
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



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50001028
PNG
((+)-PENTAZOCINE | (-)-pentazocine | (2R,6R,11R)-6,...)
Show SMILES [#6]-[#6@H]1-[#6@H]-2-[#6]-c3ccc(-[#8])cc3[C@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](\[#6])-[#6] |r,TLB:16:15:1:3.4.10|
Show InChI InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1
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3.90n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50585431
PNG
(CHEMBL5082024)
Show SMILES Cl.C[C@H]1CCC[C@@H](C)N1CCCOc1ccc(Cl)cc1 |r|
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4.40n/an/an/an/an/an/an/an/a


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Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50585430
PNG
(CHEMBL5094446)
Show SMILES Cl.C[C@H]1CCCCN1CCOc1ccc(Cl)cc1 |r|
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585431
PNG
(CHEMBL5082024)
Show SMILES Cl.C[C@H]1CCC[C@@H](C)N1CCCOc1ccc(Cl)cc1 |r|
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50585429
PNG
(CHEMBL5087328)
Show SMILES Cl.C[C@@H]1CCCCN1CCOc1ccc(Cl)cc1 |r|
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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50585439
PNG
(CHEMBL5089619)
Show SMILES Cl.COc1ccc(OCCCN2[C@@H](C)CCC[C@H]2C)cc1 |r|
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50062551
PNG
(CHEBI:76010 | Dolutegravir | GSK1349572 | S-349572)
Show SMILES [H][C@]12Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N1[C@H](C)CCO2 |r|
Show InChI InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50585437
PNG
(CHEMBL5090648)
Show SMILES Cl.COc1ccc(OCCN2CCCC[C@H]2C)cc1 |r|
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36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50585438
PNG
(CHEMBL5090805)
Show SMILES Cl.COc1ccc(OCCN2CCCC[C@@H]2C)cc1 |r|
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43n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50128108
PNG
(1-[2-(4-Chloro-phenoxy)-1-methyl-ethyl]-4-methyl-p...)
Show SMILES C[C@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m1/s1
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52n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585439
PNG
(CHEMBL5089619)
Show SMILES Cl.COc1ccc(OCCCN2[C@@H](C)CCC[C@H]2C)cc1 |r|
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53n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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55n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50585432
PNG
(CHEMBL5084203)
Show SMILES Cl.C[C@H]1CCC[C@@H](C)N1CCOc1ccc(Cl)cc1 |r|
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59n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585430
PNG
(CHEMBL5094446)
Show SMILES Cl.C[C@H]1CCCCN1CCOc1ccc(Cl)cc1 |r|
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70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(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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71n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D1 in rat striatal membranes using [3H]- SCH 23390 radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585429
PNG
(CHEMBL5087328)
Show SMILES Cl.C[C@@H]1CCCCN1CCOc1ccc(Cl)cc1 |r|
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78n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585432
PNG
(CHEMBL5084203)
Show SMILES Cl.C[C@H]1CCC[C@@H](C)N1CCOc1ccc(Cl)cc1 |r|
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116n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585434
PNG
(CHEMBL5093782)
Show SMILES Cl.COc1ccc(OCCN2CCC(C)CC2)cc1
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170n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585438
PNG
(CHEMBL5090805)
Show SMILES Cl.COc1ccc(OCCN2CCCC[C@@H]2C)cc1 |r|
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175n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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182n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D1 in rat striatal membranes using [3H]- SCH 23390 radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50128107
PNG
(1-[2-(4-Chloro-phenoxy)-1-methyl-ethyl]-4-methyl-p...)
Show SMILES C[C@@H](COc1ccc(Cl)cc1)N1CCC(C)CC1
Show InChI InChI=1S/C15H22ClNO/c1-12-7-9-17(10-8-12)13(2)11-18-15-5-3-14(16)4-6-15/h3-6,12-13H,7-11H2,1-2H3/t13-/m0/s1
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186n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585435
PNG
(CHEMBL5083713)
Show SMILES Cl.COc1ccc(OC[C@@H](C)N2CCC(C)CC2)cc1 |r|
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187n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50128110
PNG
(1-[2-(4-Chloro-phenoxy)-ethyl]-4-methyl-piperidine...)
Show SMILES CC1CCN(CCOc2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C14H20ClNO/c1-12-6-8-16(9-7-12)10-11-17-14-4-2-13(15)3-5-14/h2-5,12H,6-11H2,1H3
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239n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50202296
PNG
(1-Methyl-2,3,12,12a-tetrahydro-1H-7-oxa-1-aza-plei...)
Show SMILES CN1CCc2cc(O)cc3Oc4ccccc4CC1c23
Show InChI InChI=1S/C17H17NO2/c1-18-7-6-12-8-13(19)10-16-17(12)14(18)9-11-4-2-3-5-15(11)20-16/h2-5,8,10,14,19H,6-7,9H2,1H3
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275n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585437
PNG
(CHEMBL5090648)
Show SMILES Cl.COc1ccc(OCCN2CCCC[C@H]2C)cc1 |r|
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300n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50585440
PNG
(CHEMBL5083085)
Show SMILES Cl.COc1ccc(OCCN2[C@@H](C)CCC[C@H]2C)cc1 |r|
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379n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50473127
PNG
(CHEMBL154301)
Show SMILES COc1ccc(Br)c(CC2N(C)CCc3c(Br)ccc(O)c23)c1
Show InChI InChI=1S/C18H19Br2NO2/c1-21-8-7-13-15(20)5-6-17(22)18(13)16(21)10-11-9-12(23-2)3-4-14(11)19/h3-6,9,16,22H,7-8,10H2,1-2H3
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389n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D1 in rat striatal membranes using [3H]- SCH 23390 radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585433
PNG
(CHEMBL5082189)
Show SMILES Cl.CC1(C)CCCC(C)(C)N1CCOc1ccc(Cl)cc1
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411n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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417n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D1 in rat striatal membranes using [3H]- SCH 23390 radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585440
PNG
(CHEMBL5083085)
Show SMILES Cl.COc1ccc(OCCN2[C@@H](C)CCC[C@H]2C)cc1 |r|
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636n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585436
PNG
(CHEMBL5080230)
Show SMILES Cl.COc1ccc(OC[C@H](C)N2CCC(C)CC2)cc1 |r|
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723n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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724n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50202327
PNG
(1-methyl-2,3,12,12a-tetrahydro-1H-7-oxa-1-aza-plei...)
Show SMILES CN1CCc2cccc3Oc4ccc(O)cc4CC1c23
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-11-3-2-4-16-17(11)14(18)10-12-9-13(19)5-6-15(12)20-16/h2-6,9,14,19H,7-8,10H2,1H3
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724n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
Sigma intracellular receptor 2


(Rattus norvegicus (Rat))
BDBM50585441
PNG
(CHEMBL5078846)
Show SMILES Cl.COc1ccc(OCCN2C(C)(C)CCCC2(C)C)cc1
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809n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]DTG from sigma 2 receptor in Wistar Han rat liver membranes measured after 120 mins by scintillation counting method


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.114038
BindingDB Entry DOI: 10.7270/Q2K35ZJK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50473116
PNG
(CHEMBL156011)
Show SMILES COc1ccc2Oc3ccc(Br)c4CCN(C)C(Cc2c1)c34
Show InChI InChI=1S/C18H18BrNO2/c1-20-8-7-13-14(19)4-6-17-18(13)15(20)10-11-9-12(21-2)3-5-16(11)22-17/h3-6,9,15H,7-8,10H2,1-2H3
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851n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50473124
PNG
(CHEMBL157799)
Show SMILES COc1ccc2Oc3cccc4CCN(C)C(Cc2c1)c34
Show InChI InChI=1S/C18H19NO2/c1-19-9-8-12-4-3-5-17-18(12)15(19)11-13-10-14(20-2)6-7-16(13)21-17/h3-7,10,15H,8-9,11H2,1-2H3
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1.23E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50473121
PNG
(CHEMBL155351)
Show SMILES CCN1CCc2c(Br)ccc(O)c2C1Cc1cc(OC)ccc1Br
Show InChI InChI=1S/C19H21Br2NO2/c1-3-22-9-8-14-16(21)6-7-18(23)19(14)17(22)11-12-10-13(24-2)4-5-15(12)20/h4-7,10,17,23H,3,8-9,11H2,1-2H3
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1.55E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D1 in rat striatal membranes using [3H]- SCH 23390 radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50473120
PNG
(CHEMBL350471)
Show SMILES COc1cc(Br)cc2CCN(C)C(Cc3ccccc3O)c12
Show InChI InChI=1S/C18H20BrNO2/c1-20-8-7-13-9-14(19)11-17(22-2)18(13)15(20)10-12-5-3-4-6-16(12)21/h3-6,9,11,15,21H,7-8,10H2,1-2H3
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1.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D1 in rat striatal membranes using [3H]- SCH 23390 radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50473120
PNG
(CHEMBL350471)
Show SMILES COc1cc(Br)cc2CCN(C)C(Cc3ccccc3O)c12
Show InChI InChI=1S/C18H20BrNO2/c1-20-8-7-13-9-14(19)11-17(22-2)18(13)15(20)10-12-5-3-4-6-16(12)21/h3-6,9,11,15,21H,7-8,10H2,1-2H3
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1.82E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50473117
PNG
(CHEMBL348465)
Show SMILES CCN1CCc2cccc3Oc4ccc(OC)cc4CC1c23
Show InChI InChI=1S/C19H21NO2/c1-3-20-10-9-13-5-4-6-18-19(13)16(20)12-14-11-15(21-2)7-8-17(14)22-18/h4-8,11,16H,3,9-10,12H2,1-2H3
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1.86E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50473113
PNG
(CHEMBL422169)
Show SMILES CCN1CCc2cc(Br)cc(OC)c2C1Cc1ccccc1O
Show InChI InChI=1S/C19H22BrNO2/c1-3-21-9-8-14-10-15(20)12-18(23-2)19(14)16(21)11-13-6-4-5-7-17(13)22/h4-7,10,12,16,22H,3,8-9,11H2,1-2H3
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2.19E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D2 in rat striatal membranes using [3H]- spiperone radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)
BDBM50473112
PNG
(CHEMBL349311)
Show SMILES CCCN1CCc2c(Br)ccc3Oc4ccc(OC)cc4CC1c23
Show InChI InChI=1S/C20H22BrNO2/c1-3-9-22-10-8-15-16(21)5-7-19-20(15)17(22)12-13-11-14(23-2)4-6-18(13)24-19/h4-7,11,17H,3,8-10,12H2,1-2H3
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2.46E+3n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Binding Affinity was determined against Dopamine receptor D1 in rat striatal membranes using [3H]- SCH 23390 radioligand.


J Med Chem 43: 599-608 (2000)


Article DOI: 10.1021/jm991034o
BindingDB Entry DOI: 10.7270/Q2X35161
More data for this
Ligand-Target Pair
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