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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'stoupakis' and Initial = 'g'   
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


(Homo sapiens (Human))
BDBM50007400
PNG
(4-Phenyl-1-(4-phenyl-butyl)-piperidine | 4-Phenyl-...)
Show SMILES C(CCc1ccccc1)CN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H27N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,7-8,11,14-18H2
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1n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50002218
PNG
(2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
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10n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]- haloperidol


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50002245
PNG
(4-[2-(1-Cyclopropylmethyl-piperidin-4-yl)-acetyl]-...)
Show SMILES O=C(CC1CCN(CC2CC2)CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C18H22N2O/c19-12-15-3-5-17(6-4-15)18(21)11-14-7-9-20(10-8-14)13-16-1-2-16/h3-6,14,16H,1-2,7-11,13H2
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10n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]- haloperidol


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50002245
PNG
(4-[2-(1-Cyclopropylmethyl-piperidin-4-yl)-acetyl]-...)
Show SMILES O=C(CC1CCN(CC2CC2)CC1)c1ccc(cc1)C#N
Show InChI InChI=1S/C18H22N2O/c19-12-15-3-5-17(6-4-15)18(21)11-14-7-9-20(10-8-14)13-16-1-2-16/h3-6,14,16H,1-2,7-11,13H2
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>1.00E+3n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50002218
PNG
(2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CC1CCN(CC2CC2)CC1
Show InChI InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
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>1.00E+3n/an/an/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036730
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H20ClNO/c21-19-8-6-16(7-9-19)17-10-13-22(14-11-17)15-12-20(23)18-4-2-1-3-5-18/h1-10H,11-15H2
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n/an/a 0.5n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036722
PNG
(3-[4-(4-Fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H20FNO/c21-19-8-6-16(7-9-19)17-10-13-22(14-11-17)15-12-20(23)18-4-2-1-3-5-18/h1-10H,11-15H2
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n/an/a 4n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036729
PNG
(1-Phenyl-3-(4-phenyl-piperidin-1-yl)-propan-1-one ...)
Show SMILES O=C(CCN1CCC(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23NO/c22-20(19-9-5-2-6-10-19)13-16-21-14-11-18(12-15-21)17-7-3-1-4-8-17/h1-10,18H,11-16H2
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n/an/a 7n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036716
PNG
(1-Phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-...)
Show SMILES O=C(CCN1CCC(=CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H21NO/c22-20(19-9-5-2-6-10-19)13-16-21-14-11-18(12-15-21)17-7-3-1-4-8-17/h1-11H,12-16H2
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n/an/a 8n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036711
PNG
(1-(4-Fluoro-phenyl)-3-[4-(4-fluoro-phenyl)-3,6-dih...)
Show SMILES Fc1ccc(cc1)C(=O)CCN1CCC(=CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F2NO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)14-11-20(24)17-3-7-19(22)8-4-17/h1-9H,10-14H2
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n/an/a 23n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036724
PNG
(1-(4-Chloro-phenyl)-3-[4-(4-fluoro-phenyl)-3,6-dih...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCC(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H19ClFNO/c21-18-5-1-17(2-6-18)20(24)11-14-23-12-9-16(10-13-23)15-3-7-19(22)8-4-15/h1-9H,10-14H2
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n/an/a 25n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036712
PNG
(4-(4-Chloro-phenyl)-1,2,3,6-tetrahydro-pyridine | ...)
Show SMILES Clc1ccc(cc1)C1=CCNCC1
Show InChI InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
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n/an/a 50n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036713
PNG
(1-(4-Bromo-phenyl)-3-[4-(4-fluoro-phenyl)-3,6-dihy...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCC(=O)c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C20H19BrFNO/c21-18-5-1-17(2-6-18)20(24)11-14-23-12-9-16(10-13-23)15-3-7-19(22)8-4-15/h1-9H,10-14H2
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n/an/a 66n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036723
PNG
(1-(4-Bromo-phenyl)-3-[4-(4-chloro-phenyl)-3,6-dihy...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C20H19BrClNO/c21-18-5-1-17(2-6-18)20(24)11-14-23-12-9-16(10-13-23)15-3-7-19(22)8-4-15/h1-9H,10-14H2
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n/an/a 100n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036728
PNG
(1-(2-Chloro-phenyl)-3-[4-(4-chloro-phenyl)-3,6-dih...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccccc2Cl)CC1
Show InChI InChI=1S/C20H19Cl2NO/c21-17-7-5-15(6-8-17)16-9-12-23(13-10-16)14-11-20(24)18-3-1-2-4-19(18)22/h1-9H,10-14H2
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n/an/a 105n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036717
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C20H18Cl3NO/c21-17-4-1-14(2-5-17)15-7-10-24(11-8-15)12-9-20(25)16-3-6-18(22)19(23)13-16/h1-7,13H,8-12H2
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n/an/a 158n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036719
PNG
(1-(4-Chloro-phenyl)-3-[4-(4-chloro-phenyl)-3,6-dih...)
Show SMILES Clc1ccc(cc1)C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19Cl2NO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)14-11-20(24)17-3-7-19(22)8-4-17/h1-9H,10-14H2
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n/an/a 158n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036721
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Fc1ccc(cc1F)C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClF2NO/c21-17-4-1-14(2-5-17)15-7-10-24(11-8-15)12-9-20(25)16-3-6-18(22)19(23)13-16/h1-7,13H,8-12H2
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n/an/a 235n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036720
PNG
(1-Benzo[1,3]dioxol-5-yl-3-[4-(4-chloro-phenyl)-3,6...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H20ClNO3/c22-18-4-1-15(2-5-18)16-7-10-23(11-8-16)12-9-19(24)17-3-6-20-21(13-17)26-14-25-20/h1-7,13H,8-12,14H2
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n/an/a 281n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50007400
PNG
(4-Phenyl-1-(4-phenyl-butyl)-piperidine | 4-Phenyl-...)
Show SMILES C(CCc1ccccc1)CN1CCC(CC1)c1ccccc1
Show InChI InChI=1S/C21H27N/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20/h1-6,9-10,12-13,21H,7-8,11,14-18H2
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n/an/a 335n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036710
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Fc1ccccc1C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClFNO/c21-17-7-5-15(6-8-17)16-9-12-23(13-10-16)14-11-20(24)18-3-1-2-4-19(18)22/h1-9H,10-14H2
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n/an/a 400n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036726
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES COc1ccc(cc1OC)C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClNO3/c1-26-21-8-5-18(15-22(21)27-2)20(25)11-14-24-12-9-17(10-13-24)16-3-6-19(23)7-4-16/h3-9,15H,10-14H2,1-2H3
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n/an/a 495n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036714
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Fc1ccc(cc1)C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClFNO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)14-11-20(24)17-3-7-19(22)8-4-17/h1-9H,10-14H2
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n/an/a 500n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036718
PNG
(4-Phenyl-1,2,3,6-tetrahydro-pyridine | 4-phenyl-1,...)
Show SMILES C1CC(=CCN1)c1ccccc1
Show InChI InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036727
PNG
(3-Dipropylamino-1-phenyl-propan-1-one | CHEMBL1267...)
Show SMILES CCCN(CCC)CCC(=O)c1ccccc1
Show InChI InChI=1S/C15H23NO/c1-3-11-16(12-4-2)13-10-15(17)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036715
PNG
(3-Diethylamino-1-phenyl-propan-1-one | CHEMBL13052...)
Show SMILES CCN(CC)CCC(=O)c1ccccc1
Show InChI InChI=1S/C13H19NO/c1-3-14(4-2)11-10-13(15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
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n/an/a 1.25E+3n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036722
PNG
(3-[4-(4-Fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H20FNO/c21-19-8-6-16(7-9-19)17-10-13-22(14-11-17)15-12-20(23)18-4-2-1-3-5-18/h1-10H,11-15H2
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n/an/a>5.00E+3n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036723
PNG
(1-(4-Bromo-phenyl)-3-[4-(4-chloro-phenyl)-3,6-dihy...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C20H19BrClNO/c21-18-5-1-17(2-6-18)20(24)11-14-23-12-9-16(10-13-23)15-3-7-19(22)8-4-15/h1-9H,10-14H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036730
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C20H20ClNO/c21-19-8-6-16(7-9-19)17-10-13-22(14-11-17)15-12-20(23)18-4-2-1-3-5-18/h1-10H,11-15H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036731
PNG
(3-Dimethylamino-1-phenyl-propan-1-one | CHEMBL5011...)
Show SMILES CN(C)CCC(=O)c1ccccc1
Show InChI InChI=1S/C11H15NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036726
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES COc1ccc(cc1OC)C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H24ClNO3/c1-26-21-8-5-18(15-22(21)27-2)20(25)11-14-24-12-9-17(10-13-24)16-3-6-19(23)7-4-16/h3-9,15H,10-14H2,1-2H3
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036729
PNG
(1-Phenyl-3-(4-phenyl-piperidin-1-yl)-propan-1-one ...)
Show SMILES O=C(CCN1CCC(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23NO/c22-20(19-9-5-2-6-10-19)13-16-21-14-11-18(12-15-21)17-7-3-1-4-8-17/h1-10,18H,11-16H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036716
PNG
(1-Phenyl-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-...)
Show SMILES O=C(CCN1CCC(=CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H21NO/c22-20(19-9-5-2-6-10-19)13-16-21-14-11-18(12-15-21)17-7-3-1-4-8-17/h1-11H,12-16H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50036731
PNG
(3-Dimethylamino-1-phenyl-propan-1-one | CHEMBL5011...)
Show SMILES CN(C)CCC(=O)c1ccccc1
Show InChI InChI=1S/C11H15NO/c1-12(2)9-8-11(13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor in bovine cerebellum using 2.0 nM [3H]-haloperidol in the presence of 25 nM unlabeled spiperone


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036712
PNG
(4-(4-Chloro-phenyl)-1,2,3,6-tetrahydro-pyridine | ...)
Show SMILES Clc1ccc(cc1)C1=CCNCC1
Show InChI InChI=1S/C11H12ClN/c12-11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-5,13H,6-8H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036715
PNG
(3-Diethylamino-1-phenyl-propan-1-one | CHEMBL13052...)
Show SMILES CCN(CC)CCC(=O)c1ccccc1
Show InChI InChI=1S/C13H19NO/c1-3-14(4-2)11-10-13(15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036717
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C20H18Cl3NO/c21-17-4-1-14(2-5-17)15-7-10-24(11-8-15)12-9-20(25)16-3-6-18(22)19(23)13-16/h1-7,13H,8-12H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036719
PNG
(1-(4-Chloro-phenyl)-3-[4-(4-chloro-phenyl)-3,6-dih...)
Show SMILES Clc1ccc(cc1)C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19Cl2NO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)14-11-20(24)17-3-7-19(22)8-4-17/h1-9H,10-14H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036710
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Fc1ccccc1C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClFNO/c21-17-7-5-15(6-8-17)16-9-12-23(13-10-16)14-11-20(24)18-3-1-2-4-19(18)22/h1-9H,10-14H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036721
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Fc1ccc(cc1F)C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H18ClF2NO/c21-17-4-1-14(2-5-17)15-7-10-24(11-8-15)12-9-20(25)16-3-6-18(22)19(23)13-16/h1-7,13H,8-12H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036720
PNG
(1-Benzo[1,3]dioxol-5-yl-3-[4-(4-chloro-phenyl)-3,6...)
Show SMILES Clc1ccc(cc1)C1=CCN(CCC(=O)c2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C21H20ClNO3/c22-18-4-1-15(2-5-18)16-7-10-23(11-8-16)12-9-19(24)17-3-6-20-21(13-17)26-14-25-20/h1-7,13H,8-12,14H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036718
PNG
(4-Phenyl-1,2,3,6-tetrahydro-pyridine | 4-phenyl-1,...)
Show SMILES C1CC(=CCN1)c1ccccc1
Show InChI InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-6,12H,7-9H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036714
PNG
(3-[4-(4-Chloro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES Fc1ccc(cc1)C(=O)CCN1CCC(=CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H19ClFNO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)14-11-20(24)17-3-7-19(22)8-4-17/h1-9H,10-14H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036727
PNG
(3-Dipropylamino-1-phenyl-propan-1-one | CHEMBL1267...)
Show SMILES CCCN(CCC)CCC(=O)c1ccccc1
Show InChI InChI=1S/C15H23NO/c1-3-11-16(12-4-2)13-10-15(17)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036711
PNG
(1-(4-Fluoro-phenyl)-3-[4-(4-fluoro-phenyl)-3,6-dih...)
Show SMILES Fc1ccc(cc1)C(=O)CCN1CCC(=CC1)c1ccc(F)cc1
Show InChI InChI=1S/C20H19F2NO/c21-18-5-1-15(2-6-18)16-9-12-23(13-10-16)14-11-20(24)17-3-7-19(22)8-4-17/h1-9H,10-14H2
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New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036713
PNG
(1-(4-Bromo-phenyl)-3-[4-(4-fluoro-phenyl)-3,6-dihy...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCC(=O)c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C20H19BrFNO/c21-18-5-1-17(2-6-18)20(24)11-14-23-12-9-16(10-13-23)15-3-7-19(22)8-4-15/h1-9H,10-14H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.30E+4n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM50036724
PNG
(1-(4-Chloro-phenyl)-3-[4-(4-fluoro-phenyl)-3,6-dih...)
Show SMILES Fc1ccc(cc1)C1=CCN(CCC(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C20H19ClFNO/c21-18-5-1-17(2-6-18)20(24)11-14-23-12-9-16(10-13-23)15-3-7-19(22)8-4-15/h1-9H,10-14H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



New York University

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 in bovine striatal homogenate using 200 pM [3H]- spiperone and 250 nM unlabeled ketanserin


J Med Chem 36: 3923-8 (1994)


Article DOI: 10.1021/jm00076a021
BindingDB Entry DOI: 10.7270/Q2H13122
More data for this
Ligand-Target Pair