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PubMed code 19072656

Compile data set for download or QSAR
Found 110 hits of Enzyme Inhibition Constant Data   
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
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265775
PNG
(CHEMBL462508 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H26Cl2N4O/c25-20-8-5-9-22(23(20)26)30-14-12-29(13-15-30)11-4-3-10-27-24(31)21-16-18-6-1-2-7-19(18)17-28-21/h1-2,5-9,16-17H,3-4,10-15H2,(H,27,31)
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 0.0990n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265375
PNG
(CHEMBL496531 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c1Cl
Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-5-9-22(24(20)27)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-21-8-2-1-6-19(21)18-23(31)25(30)32/h1-2,5-9,18H,3-4,10-17H2
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 0.105n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265445
PNG
(3-[5-[4-(2,3-Dichlorophenyl)piperazin-1-yl]pentylo...)
Show SMILES Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O/c25-21-9-6-10-22(24(21)26)29-14-12-28(13-15-29)11-4-1-5-16-30-23-17-19-7-2-3-8-20(19)18-27-23/h2-3,6-10,17-18H,1,4-5,11-16H2
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 0.140n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 0.150n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50131925
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)
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 0.180n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265776
PNG
(CHEMBL461236 | N-[4-[4-(3-Chlorophenyl)piperazin-1...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C24H27ClN4O/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30)
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 0.270n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50131930
PNG
(5-Chloro-1H-indole-2-carboxylic acid {4-[4-(2,4-di...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H25Cl3N4O/c24-17-3-5-20-16(13-17)14-21(28-20)23(31)27-7-1-2-8-29-9-11-30(12-10-29)22-6-4-18(25)15-19(22)26/h3-6,13-15,28H,1-2,7-12H2,(H,27,31)
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 0.380n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265759
PNG
(CHEMBL497604 | N-[4-[4-(3-Cyanophenyl)piperazin-1-...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1cc2ccccc2o1
Show InChI InChI=1S/C24H26N4O2/c25-18-19-6-5-8-21(16-19)28-14-12-27(13-15-28)11-4-3-10-26-24(29)23-17-20-7-1-2-9-22(20)30-23/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,29)
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 0.540n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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 0.800n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		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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 0.900n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
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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 2.60n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265374
PNG
(CHEMBL497574 | N-[4-[4-(2,4-Dichlorophenyl)piperaz...)
Show SMILES Clc1ccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c(Cl)c1
Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-8-23(21(27)18-20)29-13-11-28(12-14-29)9-3-4-10-30-15-16-31-22-6-2-1-5-19(22)17-24(31)25(30)32/h1-2,5-8,17-18H,3-4,9-16H2
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 3.20n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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 3.30n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265373
PNG
(CHEMBL497573 | N-[4-[4-(3-Cyanophenyl)piperazin-1-...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc(c2)C#N)CCn2c1cc1ccccc21
Show InChI InChI=1S/C26H29N5O/c27-20-21-6-5-8-23(18-21)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-24-9-2-1-7-22(24)19-25(31)26(30)32/h1-2,5-9,18-19H,3-4,10-17H2
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 3.70n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 3.80n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50265390
PNG
(7-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butylox...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-6-3-7-22(23(20)25)28-14-12-27(13-15-28)11-1-2-16-29-19-9-8-18-5-4-10-26-21(18)17-19/h3-10,17H,1-2,11-16H2
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 4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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 4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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 4.5n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50265775
PNG
(CHEMBL462508 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H26Cl2N4O/c25-20-8-5-9-22(23(20)26)30-14-12-29(13-15-30)11-4-3-10-27-24(31)21-16-18-6-1-2-7-19(18)17-28-21/h1-2,5-9,16-17H,3-4,10-15H2,(H,27,31)
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 5n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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 5.60n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265778
PNG
(CHEMBL517730 | N-[4-(1,2,3,4-Tetrahydro-5-methoxy-...)
Show SMILES COc1cccc2[nH]c3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCc3c12 |t:18|
Show InChI InChI=1S/C26H30N4O2/c1-32-24-10-6-9-21-25(24)20-11-14-30(17-23(20)29-21)13-5-4-12-27-26(31)22-15-18-7-2-3-8-19(18)16-28-22/h2-3,6-10,29H,4-5,11-17H2,1H3,(H,27,31)
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 6n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 6.70n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265390
PNG
(7-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butylox...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-6-3-7-22(23(20)25)28-14-12-27(13-15-28)11-1-2-16-29-19-9-8-18-5-4-10-26-21(18)17-19/h3-10,17H,1-2,11-16H2
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 8.20n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265446
PNG
(3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,...)
Show SMILES COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12
Show InChI InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3
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 8.60n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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 8.70n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50265375
PNG
(CHEMBL496531 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c1Cl
Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-5-9-22(24(20)27)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-21-8-2-1-6-19(21)18-23(31)25(30)32/h1-2,5-9,18H,3-4,10-17H2
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 9.30n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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 10n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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 11.9n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50265776
PNG
(CHEMBL461236 | N-[4-[4-(3-Chlorophenyl)piperazin-1...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C24H27ClN4O/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30)
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 14.7n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))		BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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 15n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from histamine H1 receptor in guinea pig cerebellum

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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 15.3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50265445
PNG
(3-[5-[4-(2,3-Dichlorophenyl)piperazin-1-yl]pentylo...)
Show SMILES Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O/c25-21-9-6-10-22(24(21)26)29-14-12-28(13-15-29)11-4-1-5-16-30-23-17-19-7-2-3-8-20(19)18-27-23/h2-3,6-10,17-18H,1,4-5,11-16H2
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 18n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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 20n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265776
PNG
(CHEMBL461236 | N-[4-[4-(3-Chlorophenyl)piperazin-1...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C24H27ClN4O/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30)
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 23.4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50265444
PNG
(3-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy]...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-5-9-21(23(20)25)28-13-11-27(12-14-28)10-3-4-15-29-22-16-18-6-1-2-7-19(18)17-26-22/h1-2,5-9,16-17H,3-4,10-15H2
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 24.2n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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 25n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50265777
PNG
(CHEMBL461023 | N-[4-(3,4-Dihydro-6-methoxypyrazino...)
Show SMILES COc1cccc2cc3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCn3c12 |t:18|
Show InChI InChI=1S/C26H30N4O2/c1-32-24-10-6-9-20-15-22-18-29(13-14-30(22)25(20)24)12-5-4-11-27-26(31)23-16-19-7-2-3-8-21(19)17-28-23/h2-3,6-10,15H,4-5,11-14,16-18H2,1H3,(H,27,31)
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 28n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265444
PNG
(3-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy]...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-5-9-21(23(20)25)28-13-11-27(12-14-28)10-3-4-15-29-22-16-18-6-1-2-7-19(18)17-26-22/h1-2,5-9,16-17H,3-4,10-15H2
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 32.9n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50265446
PNG
(3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,...)
Show SMILES COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12
Show InChI InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3
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 33n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265777
PNG
(CHEMBL461023 | N-[4-(3,4-Dihydro-6-methoxypyrazino...)
Show SMILES COc1cccc2cc3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCn3c12 |t:18|
Show InChI InChI=1S/C26H30N4O2/c1-32-24-10-6-9-20-15-22-18-29(13-14-30(22)25(20)24)12-5-4-11-27-26(31)23-16-19-7-2-3-8-21(19)17-28-23/h2-3,6-10,15H,4-5,11-14,16-18H2,1H3,(H,27,31)
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 33.5n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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 39n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265775
PNG
(CHEMBL462508 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H26Cl2N4O/c25-20-8-5-9-22(23(20)26)30-14-12-29(13-15-30)11-4-3-10-27-24(31)21-16-18-6-1-2-7-19(18)17-28-21/h1-2,5-9,16-17H,3-4,10-15H2,(H,27,31)
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 41n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 50n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265445
PNG
(3-[5-[4-(2,3-Dichlorophenyl)piperazin-1-yl]pentylo...)
Show SMILES Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O/c25-21-9-6-10-22(24(21)26)29-14-12-28(13-15-29)11-4-1-5-16-30-23-17-19-7-2-3-8-20(19)18-27-23/h2-3,6-10,17-18H,1,4-5,11-16H2
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 57n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265390
PNG
(7-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butylox...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-6-3-7-22(23(20)25)28-14-12-27(13-15-28)11-1-2-16-29-19-9-8-18-5-4-10-26-21(18)17-19/h3-10,17H,1-2,11-16H2
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 63n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265445
PNG
(3-[5-[4-(2,3-Dichlorophenyl)piperazin-1-yl]pentylo...)
Show SMILES Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O/c25-21-9-6-10-22(24(21)26)29-14-12-28(13-15-29)11-4-1-5-16-30-23-17-19-7-2-3-8-20(19)18-27-23/h2-3,6-10,17-18H,1,4-5,11-16H2
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 75n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265375
PNG
(CHEMBL496531 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c1Cl
Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-5-9-22(24(20)27)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-21-8-2-1-6-19(21)18-23(31)25(30)32/h1-2,5-9,18H,3-4,10-17H2
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 83n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50265778
PNG
(CHEMBL517730 | N-[4-(1,2,3,4-Tetrahydro-5-methoxy-...)
Show SMILES COc1cccc2[nH]c3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCc3c12 |t:18|
Show InChI InChI=1S/C26H30N4O2/c1-32-24-10-6-9-21-25(24)20-11-14-30(17-23(20)29-21)13-5-4-12-27-26(31)22-15-18-7-2-3-8-19(18)16-28-22/h2-3,6-10,29H,4-5,11-17H2,1H3,(H,27,31)
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 118n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		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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 120n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265375
PNG
(CHEMBL496531 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c1Cl
Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-5-9-22(24(20)27)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-21-8-2-1-6-19(21)18-23(31)25(30)32/h1-2,5-9,18H,3-4,10-17H2
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 122n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265444
PNG
(3-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy]...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-5-9-21(23(20)25)28-13-11-27(12-14-28)10-3-4-15-29-22-16-18-6-1-2-7-19(18)17-26-22/h1-2,5-9,16-17H,3-4,10-15H2
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 123n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265390
PNG
(7-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butylox...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4cccnc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-6-3-7-22(23(20)25)28-14-12-27(13-15-28)11-1-2-16-29-19-9-8-18-5-4-10-26-21(18)17-19/h3-10,17H,1-2,11-16H2
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 127n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265778
PNG
(CHEMBL517730 | N-[4-(1,2,3,4-Tetrahydro-5-methoxy-...)
Show SMILES COc1cccc2[nH]c3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCc3c12 |t:18|
Show InChI InChI=1S/C26H30N4O2/c1-32-24-10-6-9-21-25(24)20-11-14-30(17-23(20)29-21)13-5-4-12-27-26(31)22-15-18-7-2-3-8-19(18)16-28-22/h2-3,6-10,29H,4-5,11-17H2,1H3,(H,27,31)
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 149n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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 160n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50265444
PNG
(3-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy]...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-5-9-21(23(20)25)28-13-11-27(12-14-28)10-3-4-15-29-22-16-18-6-1-2-7-19(18)17-26-22/h1-2,5-9,16-17H,3-4,10-15H2
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 160n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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 164n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265777
PNG
(CHEMBL461023 | N-[4-(3,4-Dihydro-6-methoxypyrazino...)
Show SMILES COc1cccc2cc3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCn3c12 |t:18|
Show InChI InChI=1S/C26H30N4O2/c1-32-24-10-6-9-20-15-22-18-29(13-14-30(22)25(20)24)12-5-4-11-27-26(31)23-16-19-7-2-3-8-21(19)17-28-23/h2-3,6-10,15H,4-5,11-14,16-18H2,1H3,(H,27,31)
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 164n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 190n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50265775
PNG
(CHEMBL462508 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H26Cl2N4O/c25-20-8-5-9-22(23(20)26)30-14-12-29(13-15-30)11-4-3-10-27-24(31)21-16-18-6-1-2-7-19(18)17-28-21/h1-2,5-9,16-17H,3-4,10-15H2,(H,27,31)
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 200n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265446
PNG
(3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,...)
Show SMILES COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12
Show InChI InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3
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 200n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50265375
PNG
(CHEMBL496531 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c1Cl
Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-5-9-22(24(20)27)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-21-8-2-1-6-19(21)18-23(31)25(30)32/h1-2,5-9,18H,3-4,10-17H2
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 200n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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 210n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50265445
PNG
(3-[5-[4-(2,3-Dichlorophenyl)piperazin-1-yl]pentylo...)
Show SMILES Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O/c25-21-9-6-10-22(24(21)26)29-14-12-28(13-15-29)11-4-1-5-16-30-23-17-19-7-2-3-8-20(19)18-27-23/h2-3,6-10,17-18H,1,4-5,11-16H2
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 210n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265444
PNG
(3-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy]...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C23H25Cl2N3O/c24-20-8-5-9-21(23(20)25)28-13-11-27(12-14-28)10-3-4-15-29-22-16-18-6-1-2-7-19(18)17-26-22/h1-2,5-9,16-17H,3-4,10-15H2
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 215n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265374
PNG
(CHEMBL497574 | N-[4-[4-(2,4-Dichlorophenyl)piperaz...)
Show SMILES Clc1ccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c(Cl)c1
Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-8-23(21(27)18-20)29-13-11-28(12-14-29)9-3-4-10-30-15-16-31-22-6-2-1-5-19(22)17-24(31)25(30)32/h1-2,5-8,17-18H,3-4,9-16H2
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 229n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50265446
PNG
(3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,...)
Show SMILES COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12
Show InChI InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3
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 260n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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 263n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265374
PNG
(CHEMBL497574 | N-[4-[4-(2,4-Dichlorophenyl)piperaz...)
Show SMILES Clc1ccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c(Cl)c1
Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-8-23(21(27)18-20)29-13-11-28(12-14-29)9-3-4-10-30-15-16-31-22-6-2-1-5-19(22)17-24(31)25(30)32/h1-2,5-8,17-18H,3-4,9-16H2
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 300n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50265776
PNG
(CHEMBL461236 | N-[4-[4-(3-Chlorophenyl)piperazin-1...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C24H27ClN4O/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30)
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 300n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
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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 318n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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 319n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265373
PNG
(CHEMBL497573 | N-[4-[4-(3-Cyanophenyl)piperazin-1-...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc(c2)C#N)CCn2c1cc1ccccc21
Show InChI InChI=1S/C26H29N5O/c27-20-21-6-5-8-23(18-21)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-24-9-2-1-7-22(24)19-25(31)26(30)32/h1-2,5-9,18-19H,3-4,10-17H2
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 339n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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 353n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265373
PNG
(CHEMBL497573 | N-[4-[4-(3-Cyanophenyl)piperazin-1-...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc(c2)C#N)CCn2c1cc1ccccc21
Show InChI InChI=1S/C26H29N5O/c27-20-21-6-5-8-23(18-21)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-24-9-2-1-7-22(24)19-25(31)26(30)32/h1-2,5-9,18-19H,3-4,10-17H2
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 389n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50265759
PNG
(CHEMBL497604 | N-[4-[4-(3-Cyanophenyl)piperazin-1-...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1cc2ccccc2o1
Show InChI InChI=1S/C24H26N4O2/c25-18-19-6-5-8-21(16-19)28-14-12-27(13-15-28)11-4-3-10-26-24(29)23-17-20-7-1-2-9-22(20)30-23/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,29)
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 390n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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 610n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265759
PNG
(CHEMBL497604 | N-[4-[4-(3-Cyanophenyl)piperazin-1-...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1cc2ccccc2o1
Show InChI InChI=1S/C24H26N4O2/c25-18-19-6-5-8-21(16-19)28-14-12-27(13-15-28)11-4-3-10-26-24(29)23-17-20-7-1-2-9-22(20)30-23/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,29)
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 859n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50265759
PNG
(CHEMBL497604 | N-[4-[4-(3-Cyanophenyl)piperazin-1-...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1cc2ccccc2o1
Show InChI InChI=1S/C24H26N4O2/c25-18-19-6-5-8-21(16-19)28-14-12-27(13-15-28)11-4-3-10-26-24(29)23-17-20-7-1-2-9-22(20)30-23/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,29)
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 876n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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 920n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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 930n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265777
PNG
(CHEMBL461023 | N-[4-(3,4-Dihydro-6-methoxypyrazino...)
Show SMILES COc1cccc2cc3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCn3c12 |t:18|
Show InChI InChI=1S/C26H30N4O2/c1-32-24-10-6-9-20-15-22-18-29(13-14-30(22)25(20)24)12-5-4-11-27-26(31)23-16-19-7-2-3-8-21(19)17-28-23/h2-3,6-10,15H,4-5,11-14,16-18H2,1H3,(H,27,31)
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 1.01E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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 1.02E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265776
PNG
(CHEMBL461236 | N-[4-[4-(3-Chlorophenyl)piperazin-1...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C24H27ClN4O/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30)
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 1.04E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(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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 1.80E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50265777
PNG
(CHEMBL461023 | N-[4-(3,4-Dihydro-6-methoxypyrazino...)
Show SMILES COc1cccc2cc3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCn3c12 |t:18|
Show InChI InChI=1S/C26H30N4O2/c1-32-24-10-6-9-20-15-22-18-29(13-14-30(22)25(20)24)12-5-4-11-27-26(31)23-16-19-7-2-3-8-21(19)17-28-23/h2-3,6-10,15H,4-5,11-14,16-18H2,1H3,(H,27,31)
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 1.84E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50130293
PNG
(7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl
Show InChI InChI=1S/C23H27Cl2N3O2/c24-19-4-3-5-21(23(19)25)28-13-11-27(12-14-28)10-1-2-15-30-18-8-6-17-7-9-22(29)26-20(17)16-18/h3-6,8,16H,1-2,7,9-15H2,(H,26,29)
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 1.96E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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 3.29E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265446
PNG
(3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,...)
Show SMILES COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12
Show InChI InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3
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 3.53E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50265374
PNG
(CHEMBL497574 | N-[4-[4-(2,4-Dichlorophenyl)piperaz...)
Show SMILES Clc1ccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c(Cl)c1
Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-8-23(21(27)18-20)29-13-11-28(12-14-29)9-3-4-10-30-15-16-31-22-6-2-1-5-19(22)17-24(31)25(30)32/h1-2,5-8,17-18H,3-4,9-16H2
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 4.32E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50265375
PNG
(CHEMBL496531 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCN3CCn4c(cc5ccccc45)C3=O)CC2)c1Cl
Show InChI InChI=1S/C25H28Cl2N4O/c26-20-7-5-9-22(24(20)27)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-21-8-2-1-6-19(21)18-23(31)25(30)32/h1-2,5-9,18H,3-4,10-17H2
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 4.37E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50265775
PNG
(CHEMBL462508 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H26Cl2N4O/c25-20-8-5-9-22(23(20)26)30-14-12-29(13-15-30)11-4-3-10-27-24(31)21-16-18-6-1-2-7-19(18)17-28-21/h1-2,5-9,16-17H,3-4,10-15H2,(H,27,31)
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 4.60E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50265776
PNG
(CHEMBL461236 | N-[4-[4-(3-Chlorophenyl)piperazin-1...)
Show SMILES Clc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C24H27ClN4O/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30)
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 5.50E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265778
PNG
(CHEMBL517730 | N-[4-(1,2,3,4-Tetrahydro-5-methoxy-...)
Show SMILES COc1cccc2[nH]c3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCc3c12 |t:18|
Show InChI InChI=1S/C26H30N4O2/c1-32-24-10-6-9-21-25(24)20-11-14-30(17-23(20)29-21)13-5-4-12-27-26(31)22-15-18-7-2-3-8-19(18)16-28-22/h2-3,6-10,29H,4-5,11-17H2,1H3,(H,27,31)
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 6.48E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50265445
PNG
(3-[5-[4-(2,3-Dichlorophenyl)piperazin-1-yl]pentylo...)
Show SMILES Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H27Cl2N3O/c25-21-9-6-10-22(24(21)26)29-14-12-28(13-15-29)11-4-1-5-16-30-23-17-19-7-2-3-8-20(19)18-27-23/h2-3,6-10,17-18H,1,4-5,11-16H2
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 7.12E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50265373
PNG
(CHEMBL497573 | N-[4-[4-(3-Cyanophenyl)piperazin-1-...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2cccc(c2)C#N)CCn2c1cc1ccccc21
Show InChI InChI=1S/C26H29N5O/c27-20-21-6-5-8-23(18-21)29-14-12-28(13-15-29)10-3-4-11-30-16-17-31-24-9-2-1-7-22(24)19-25(31)26(30)32/h1-2,5-9,18-19H,3-4,10-17H2
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50131925
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))		BDBM50131930
PNG
(5-Chloro-1H-indole-2-carboxylic acid {4-[4-(2,4-di...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H25Cl3N4O/c24-17-3-5-20-16(13-17)14-21(28-20)23(31)27-7-1-2-8-29-9-11-30(12-10-29)22-6-4-18(25)15-19(22)26/h3-6,13-15,28H,1-2,7-12H2,(H,27,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]8OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50265759
PNG
(CHEMBL497604 | N-[4-[4-(3-Cyanophenyl)piperazin-1-...)
Show SMILES O=C(NCCCCN1CCN(CC1)c1cccc(c1)C#N)c1cc2ccccc2o1
Show InChI InChI=1S/C24H26N4O2/c25-18-19-6-5-8-21(16-19)28-14-12-27(13-15-28)11-4-3-10-26-24(29)23-17-20-7-1-2-9-22(20)30-23/h1-2,5-9,16-17H,3-4,10-15H2,(H,26,29)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50265446
PNG
(3,4-Dihydro-2-[4-(3,4-dihydro-6-methoxypyrazino[1,...)
Show SMILES COc1cccc2cc3CN(CCCCN4CCn5c(cc6ccccc56)C4=O)CCn3c12
Show InChI InChI=1S/C27H30N4O2/c1-33-25-10-6-8-21-17-22-19-28(13-15-30(22)26(21)25)11-4-5-12-29-14-16-31-23-9-3-2-7-20(23)18-24(31)27(29)32/h2-3,6-10,17-18H,4-5,11-16,19H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50265777
PNG
(CHEMBL461023 | N-[4-(3,4-Dihydro-6-methoxypyrazino...)
Show SMILES COc1cccc2cc3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCn3c12 |t:18|
Show InChI InChI=1S/C26H30N4O2/c1-32-24-10-6-9-20-15-22-18-29(13-14-30(22)25(20)24)12-5-4-11-27-26(31)23-16-19-7-2-3-8-21(19)17-28-23/h2-3,6-10,15H,4-5,11-14,16-18H2,1H3,(H,27,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50131925
PNG
(1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4ccccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H26Cl2N4O/c24-18-7-8-22(19(25)16-18)29-13-11-28(12-14-29)10-4-3-9-26-23(30)21-15-17-5-1-2-6-20(17)27-21/h1-2,5-8,15-16,27H,3-4,9-14H2,(H,26,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(RAT)		BDBM50265778
PNG
(CHEMBL517730 | N-[4-(1,2,3,4-Tetrahydro-5-methoxy-...)
Show SMILES COc1cccc2[nH]c3CN(CCCCNC(=O)C4=NCc5ccccc5C4)CCc3c12 |t:18|
Show InChI InChI=1S/C26H30N4O2/c1-32-24-10-6-9-21-25(24)20-11-14-30(17-23(20)29-21)13-5-4-12-27-26(31)22-15-18-7-2-3-8-19(18)16-28-22/h2-3,6-10,29H,4-5,11-17H2,1H3,(H,27,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH23390 from dopamine D1 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50265775
PNG
(CHEMBL462508 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...)
Show SMILES Clc1cccc(N2CCN(CCCCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C24H26Cl2N4O/c25-20-8-5-9-22(23(20)26)30-14-12-29(13-15-30)11-4-3-10-27-24(31)21-16-18-6-1-2-7-19(18)17-28-21/h1-2,5-9,16-17H,3-4,10-15H2,(H,27,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50131930
PNG
(5-Chloro-1H-indole-2-carboxylic acid {4-[4-(2,4-di...)
Show SMILES Clc1ccc(N2CCN(CCCCNC(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c(Cl)c1
Show InChI InChI=1S/C23H25Cl3N4O/c24-17-3-5-20-16(13-17)14-21(28-20)23(31)27-7-1-2-8-29-9-11-30(12-10-29)22-6-4-18(25)15-19(22)26/h3-6,13-15,28H,1-2,7-12H2,(H,27,31)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from dopamine D2 receptor in CRL:CD(SD)BR-COBS rat striatum by scintillation spectrometry

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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 1.70E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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 3.60E+4n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Binding affinity to human ERG expressed in HEK293 cells by whole cell patch clamp method

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))		BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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n/an/a 143n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D3 receptor expressed in CHO-K1 cells by [35S]GTPgammaS binding assay

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Rattus norvegicus (rat))		BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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n/an/a 230n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Intrinsic activity at 5HT2A receptor in Wistar rat aorta

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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n/an/a 584n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2L receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))		BDBM50265376
PNG
(CHEMBL496739 | N-(4-(4-(m-Tolyl)piperazin-1-yl)but...)
Show SMILES Cc1cccc(c1)N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1
Show InChI InChI=1S/C24H29N3O2/c1-19-7-6-9-21(17-19)27-15-13-26(14-16-27)12-5-4-11-25-24(28)23-18-20-8-2-3-10-22(20)29-23/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,25,28)
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n/an/a 1.24E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Antagonist activity at human dopamine D2S receptor expressed in CHO cells by [35S]GTPgammaS binding assay

J Med Chem 52: 151-69 (2009)


Article DOI: 10.1021/jm800689g
BindingDB Entry DOI: 10.7270/Q2J67GSD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%