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Compile Data Set for Download or QSAR

Found 233 hits with Last Name = 'altundas' and Initial = 'r'   
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
5-hydroxytryptamine receptor 2A


(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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0.290n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5HT2A receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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0.390n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5HT2A receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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0.430n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human dopamine D4 receptor by liquid scintillation counting


Bioorg Med Chem 17: 1716-23 (2009)


Article DOI: 10.1016/j.bmc.2008.12.054
BindingDB Entry DOI: 10.7270/Q2NG4QGT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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0.720n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5HT2C receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
D(2) 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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1.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting


Bioorg Med Chem 17: 1716-23 (2009)


Article DOI: 10.1016/j.bmc.2008.12.054
BindingDB Entry DOI: 10.7270/Q2NG4QGT
More data for this
Ligand-Target Pair
D(2) 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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1.40n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D2 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185473
PNG
(4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....)
Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2
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1.60n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D2 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185473
PNG
(4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....)
Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2
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1.60n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting


Bioorg Med Chem 17: 1716-23 (2009)


Article DOI: 10.1016/j.bmc.2008.12.054
BindingDB Entry DOI: 10.7270/Q2NG4QGT
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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1.80n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned muscarinic M1 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
Histamine H1 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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1.80n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned histamine H1 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
D(2) 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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2.20n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D2 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50262881
PNG
(1-(4-fluorophenyl)-4-(3-hydroxy-3-phenyl-8-aza-bic...)
Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Show InChI InChI=1S/C23H26FNO2/c24-19-10-8-17(9-11-19)22(26)7-4-14-25-20-12-13-21(25)16-23(27,15-20)18-5-2-1-3-6-18/h1-3,5-6,8-11,20-21,27H,4,7,12-16H2
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2.30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D2 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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2.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5HT1A receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
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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2.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D3 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
Histamine H1 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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2.80n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned histamine H1 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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3.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D2 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
D(4) 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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3.30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D4 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(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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3.30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned 5HT2A receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(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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4.70n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned muscarinic M1 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50185473
PNG
(4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....)
Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2
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5.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 1716-23 (2009)


Article DOI: 10.1016/j.bmc.2008.12.054
BindingDB Entry DOI: 10.7270/Q2NG4QGT
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50185473
PNG
(4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....)
Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2
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5.30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human dopamine D4 receptor by liquid scintillation counting


Bioorg Med Chem 17: 1716-23 (2009)


Article DOI: 10.1016/j.bmc.2008.12.054
BindingDB Entry DOI: 10.7270/Q2NG4QGT
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50185473
PNG
(4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....)
Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 |TLB:9:8:1.2.7:4.5,0:1:8:4.5|
Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2
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5.30n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D4 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
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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5.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting


Bioorg Med Chem 17: 1716-23 (2009)


Article DOI: 10.1016/j.bmc.2008.12.054
BindingDB Entry DOI: 10.7270/Q2NG4QGT
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474703
PNG
(CHEMBL1269)
Show SMILES Fc1ccc(cc1)C(=O)CCC[n+]1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-12,14-15H,1-2,13H2/q+1
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<6n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D2


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474703
PNG
(CHEMBL1269)
Show SMILES Fc1ccc(cc1)C(=O)CCC[n+]1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-12,14-15H,1-2,13H2/q+1
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<6n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50474703
PNG
(CHEMBL1269)
Show SMILES Fc1ccc(cc1)C(=O)CCC[n+]1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H18ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-12,14-15H,1-2,13H2/q+1
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<6n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D4


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50002334
PNG
(1-(4-Fluoro-phenyl)-4-(4-pyrimidin-2-yl-piperazin-...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C18H21FN4O/c19-16-6-4-15(5-7-16)17(24)3-1-10-22-11-13-23(14-12-22)18-20-8-2-9-21-18/h2,4-9H,1,3,10-14H2
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6.53n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D4 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50262929
PNG
(4-[4-(4-Chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluo...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H24ClFN2O/c22-18-6-10-20(11-7-18)25-14-2-13-24(15-16-25)12-1-3-21(26)17-4-8-19(23)9-5-17/h4-11H,1-3,12-16H2
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6.60n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D4 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
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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6.62n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50185474
PNG
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2
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6.70n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50474702
PNG
(CHEMBL358190)
Show SMILES OCCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(12-15-26)11-14-25(16-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2
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6.71n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D4


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50474706
PNG
(CHEMBL148626)
Show SMILES CN(CCCC(O)c1ccc(Cl)cc1)CCCC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/c1-24(14-2-4-20(25)16-6-10-18(22)11-7-16)15-3-5-21(26)17-8-12-19(23)13-9-17/h6-13,20,25H,2-5,14-15H2,1H3
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6.72n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D4


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474708
PNG
(CHEMBL149877)
Show SMILES OCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(15-25)11-13-24(14-21)12-1-2-20(26)16-3-9-19(23)10-4-16/h3-10,25H,1-2,11-15H2
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6.78n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474706
PNG
(CHEMBL148626)
Show SMILES CN(CCCC(O)c1ccc(Cl)cc1)CCCC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/c1-24(14-2-4-20(25)16-6-10-18(22)11-7-16)15-3-5-21(26)17-8-12-19(23)13-9-17/h6-13,20,25H,2-5,14-15H2,1H3
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6.79n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(2) 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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6.87n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D2


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50474705
PNG
(CHEMBL357956)
Show SMILES OC(C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-3-17(4-8-19)22(27)18-11-14-25(15-12-18)13-1-2-21(26)16-5-9-20(24)10-6-16/h3-10,18,22,27H,1-2,11-15H2
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6.91n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D4


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474700
PNG
(CHEMBL149721)
Show SMILES OCC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(16-26)11-14-25(15-12-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2
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6.96n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474705
PNG
(CHEMBL357956)
Show SMILES OC(C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-3-17(4-8-19)22(27)18-11-14-25(15-12-18)13-1-2-21(26)16-5-9-20(24)10-6-16/h3-10,18,22,27H,1-2,11-15H2
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7.11n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50474700
PNG
(CHEMBL149721)
Show SMILES OCC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(16-26)11-14-25(15-12-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2
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7.11n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D4


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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7.20n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human cloned dopamine D3 receptor


Bioorg Med Chem 16: 7291-301 (2008)


Article DOI: 10.1016/j.bmc.2008.06.030
BindingDB Entry DOI: 10.7270/Q2ZP45XW
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50474709
PNG
(CHEMBL147829)
Show SMILES OC1(Cc2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-3-17(4-8-19)16-22(27)11-14-25(15-12-22)13-1-2-21(26)18-5-9-20(24)10-6-18/h3-10,27H,1-2,11-16H2
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7.23n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D4


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(4) 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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7.27n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D4


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474701
PNG
(CHEMBL147830)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2
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7.34n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474708
PNG
(CHEMBL149877)
Show SMILES OCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(15-25)11-13-24(14-21)12-1-2-20(26)16-3-9-19(23)10-4-16/h3-10,25H,1-2,11-15H2
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7.36n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D2


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50185474
PNG
((+)-4-(3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClFNO2/c21-17-7-5-16(6-8-17)20(25)11-13-23(14-20)12-1-2-19(24)15-3-9-18(22)10-4-15/h3-10,25H,1-2,11-14H2
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7.48n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D2


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50474702
PNG
(CHEMBL358190)
Show SMILES OCCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-5-18(6-8-19)22(12-15-26)11-14-25(16-22)13-1-2-21(27)17-3-9-20(24)10-4-17/h3-10,26H,1-2,11-16H2
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7.49n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human Dopamine receptor D3


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474706
PNG
(CHEMBL148626)
Show SMILES CN(CCCC(O)c1ccc(Cl)cc1)CCCC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C21H25ClFNO2/c1-24(14-2-4-20(25)16-6-10-18(22)11-7-16)15-3-5-21(26)17-8-12-19(23)13-9-17/h6-13,20,25H,2-5,14-15H2,1H3
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7.58n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D2


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50474701
PNG
(CHEMBL147830)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2
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7.59n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D4


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50474705
PNG
(CHEMBL357956)
Show SMILES OC(C1CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-19-7-3-17(4-8-19)22(27)18-11-14-25(15-12-18)13-1-2-21(26)16-5-9-20(24)10-6-16/h3-10,18,22,27H,1-2,11-15H2
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7.62n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D2


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50474708
PNG
(CHEMBL149877)
Show SMILES OCC1(CCN(CCCC(=O)c2ccc(F)cc2)C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(15-25)11-13-24(14-21)12-1-2-20(26)16-3-9-19(23)10-4-16/h3-10,25H,1-2,11-15H2
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7.62n/an/an/an/an/an/an/an/a



Florida A and M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human Dopamine receptor D4


J Med Chem 47: 497-508 (2004)


Article DOI: 10.1021/jm0301033
BindingDB Entry DOI: 10.7270/Q2445Q6H
More data for this
Ligand-Target Pair
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