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PubMed code 15501032

Compile data set for download or QSAR
Found 14 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
Dopamine receptors; D2 & D4


(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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PubMed
0.430n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50155515
PNG
(1-(4-Fluoro-phenyl)-4-(3-hydroxy-3-phenyl-8-aza-bi...)
Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1
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 for dopamine D2 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50155520
PNG
(4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2
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18n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50155515
PNG
(1-(4-Fluoro-phenyl)-4-(3-hydroxy-3-phenyl-8-aza-bi...)
Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccccc1
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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19n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50061255
PNG
(1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1
Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2
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124n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D2 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50061255
PNG
(1-(4-Fluoro-phenyl)-4-(3-phenyl-8-aza-bicyclo[3.2....)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccccc1
Show InChI InChI=1S/C23H26FNO/c24-20-10-8-18(9-11-20)23(26)7-4-14-25-21-12-13-22(25)16-19(15-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,19,21-22H,4,7,12-16H2
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177n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50155523
PNG
(4-[3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]oct-8-y...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClFNO/c24-19-7-3-16(4-8-19)18-14-21-11-12-22(15-18)26(21)13-1-2-23(27)17-5-9-20(25)10-6-17/h3-10,18,21-22H,1-2,11-15H2
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190n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D2 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50155520
PNG
(4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-1-(4-fluoro...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H22ClFN2O/c21-17-5-9-19(10-6-17)24-14-12-23(13-15-24)11-1-2-20(25)16-3-7-18(22)8-4-16/h3-10H,1-2,11-15H2
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254n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D2 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50155523
PNG
(4-[3-(4-Chloro-phenyl)-8-aza-bicyclo[3.2.1]oct-8-y...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(C2)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClFNO/c24-19-7-3-16(4-8-19)18-14-21-11-12-22(15-18)26(21)13-1-2-23(27)17-5-9-20(25)10-6-17/h3-10,18,21-22H,1-2,11-15H2
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345n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50155517
PNG
(2-[3-(4-Chloro-phenyl)-3-hydroxy-8-aza-bicyclo[3.2...)
Show SMILES OC1(CC2CCC(C1)N2CC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClFNO2/c22-16-5-3-15(4-6-16)21(26)11-18-9-10-19(12-21)24(18)13-20(25)14-1-7-17(23)8-2-14/h1-8,18-19,26H,9-13H2
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789n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
D(2) 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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960n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D2 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50155516
PNG
(3-(4-Chloro-phenyl)-8-(4-fluoro-benzyl)-8-aza-bicy...)
Show SMILES OC1(CC2CCC(C1)N2Cc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClFNO/c21-16-5-3-15(4-6-16)20(24)11-18-9-10-19(12-20)23(18)13-14-1-7-17(22)8-2-14/h1-8,18-19,24H,9-13H2
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1.02E+3n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D4 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50155516
PNG
(3-(4-Chloro-phenyl)-8-(4-fluoro-benzyl)-8-aza-bicy...)
Show SMILES OC1(CC2CCC(C1)N2Cc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClFNO/c21-16-5-3-15(4-6-16)20(24)11-18-9-10-19(12-20)23(18)13-14-1-7-17(22)8-2-14/h1-8,18-19,24H,9-13H2
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1.05E+3n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D2 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50155517
PNG
(2-[3-(4-Chloro-phenyl)-3-hydroxy-8-aza-bicyclo[3.2...)
Show SMILES OC1(CC2CCC(C1)N2CC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H21ClFNO2/c22-16-5-3-15(4-6-16)21(26)11-18-9-10-19(12-21)24(18)13-20(25)14-1-7-17(23)8-2-14/h1-8,18-19,26H,9-13H2
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1.23E+3n/an/an/an/an/an/an/an/a



Florida A& M University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine D2 receptor


Bioorg Med Chem Lett 14: 5739-42 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.046
BindingDB Entry DOI: 10.7270/Q28K79VJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%