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Compile Data Set for Download or QSAR

Found 182 hits with Last Name = 'höltje' and Initial = 'hd'   
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))
BDBM50132057
PNG
(CHEMBL1180430 | CHEMBL126128 | N-{4-[4-(2-Methoxy-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C24H31N3O2/c1-29-23-12-6-5-11-22(23)27-19-17-26(18-20-27)16-8-7-15-25-24(28)14-13-21-9-3-2-4-10-21/h2-6,9-14H,7-8,15-20H2,1H3,(H,25,28)/b14-13+
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0.330n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132040
PNG
(3-(4-Methoxy-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pi...)
Show SMILES COc1ccc(\C=C\C(=O)NCCCCN2CCN(CC2)c2ccccc2OC)cc1
Show InChI InChI=1S/C25H33N3O3/c1-30-22-12-9-21(10-13-22)11-14-25(29)26-15-5-6-16-27-17-19-28(20-18-27)23-7-3-4-8-24(23)31-2/h3-4,7-14H,5-6,15-20H2,1-2H3,(H,26,29)/b14-11+
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0.380n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50077001
PNG
(1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperi...)
Show SMILES Cc1nn(cc1-c1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H25N3/c1-18-22(20-10-6-3-7-11-20)17-25(23-18)21-12-14-24(15-13-21)16-19-8-4-2-5-9-19/h2-11,17,21H,12-16H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity of compound towards human Dopamine receptor D4 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132031
PNG
(3-(4-Bromo-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pipe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Br)cc2)CC1
Show InChI InChI=1S/C24H30BrN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
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0.430n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132047
PNG
(3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
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0.440n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132060
PNG
(3-(3-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2cccc(Cl)c2)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-30-23-10-3-2-9-22(23)28-17-15-27(16-18-28)14-5-4-13-26-24(29)12-11-20-7-6-8-21(25)19-20/h2-3,6-12,19H,4-5,13-18H2,1H3,(H,26,29)/b12-11+
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0.460n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132059
PNG
(3-(4-Cyano-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pipe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-7-3-2-6-23(24)29-18-16-28(17-19-29)15-5-4-14-27-25(30)13-12-21-8-10-22(20-26)11-9-21/h2-3,6-13H,4-5,14-19H2,1H3,(H,27,30)/b13-12+
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0.460n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132012
PNG
((E)-3-(4-Iodo-phenyl)-N-{4-[4-(2-methoxy-phenyl)-p...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(I)cc2)CC1
Show InChI InChI=1S/C24H30IN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
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0.5n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132013
PNG
(CHEMBL341542 | N-{4-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2cccnc2)CC1
Show InChI InChI=1S/C23H30N4O2/c1-29-22-9-3-2-8-21(22)27-17-15-26(16-18-27)14-5-4-13-25-23(28)11-10-20-7-6-12-24-19-20/h2-3,6-12,19H,4-5,13-18H2,1H3,(H,25,28)/b11-10+
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0.5n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50007182
PNG
(4-Chloro-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C22H28ClN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
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0.5n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132027
PNG
(3-(2-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccccc2Cl)CC1
Show InChI InChI=1S/C24H30ClN3O2/c1-30-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-14-26-24(29)13-12-20-8-2-3-9-21(20)25/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,29)/b13-12+
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0.520n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132076
PNG
(3-Benzo[1,3]dioxol-4-yl-N-{4-[4-(2-methoxy-phenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2cccc3OCOc23)CC1
Show InChI InChI=1S/C25H31N3O4/c1-30-22-9-3-2-8-21(22)28-17-15-27(16-18-28)14-5-4-13-26-24(29)12-11-20-7-6-10-23-25(20)32-19-31-23/h2-3,6-12H,4-5,13-19H2,1H3,(H,26,29)/b12-11+
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0.550n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132019
PNG
(3-(2-Methoxy-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pi...)
Show SMILES COc1ccccc1\C=C\C(=O)NCCCCN1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C25H33N3O3/c1-30-23-11-5-3-9-21(23)13-14-25(29)26-15-7-8-16-27-17-19-28(20-18-27)22-10-4-6-12-24(22)31-2/h3-6,9-14H,7-8,15-20H2,1-2H3,(H,26,29)/b14-13+
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0.560n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132070
PNG
(CHEMBL338552 | N-{4-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2cccs2)CC1
Show InChI InChI=1S/C22H29N3O2S/c1-27-21-9-3-2-8-20(21)25-16-14-24(15-17-25)13-5-4-12-23-22(26)11-10-19-7-6-18-28-19/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,23,26)/b11-10+
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0.590n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132055
PNG
(3-Furan-2-yl-N-{4-[4-(2-methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccco2)CC1
Show InChI InChI=1S/C22H29N3O3/c1-27-21-9-3-2-8-20(21)25-16-14-24(15-17-25)13-5-4-12-23-22(26)11-10-19-7-6-18-28-19/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,23,26)/b11-10+
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0.600n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132039
PNG
(CHEMBL126280 | N-{4-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccsc2)CC1
Show InChI InChI=1S/C22H29N3O2S/c1-27-21-7-3-2-6-20(21)25-15-13-24(14-16-25)12-5-4-11-23-22(26)9-8-19-10-17-28-18-19/h2-3,6-10,17-18H,4-5,11-16H2,1H3,(H,23,26)/b9-8+
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0.640n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132050
PNG
(CHEMBL126749 | N-{4-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C28H33N3O2/c1-33-27-11-5-4-10-26(27)31-20-18-30(19-21-31)17-7-6-16-29-28(32)15-13-23-12-14-24-8-2-3-9-25(24)22-23/h2-5,8-15,22H,6-7,16-21H2,1H3,(H,29,32)/b15-13+
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0.680n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132069
PNG
(3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(F)cc2)CC1
Show InChI InChI=1S/C24H30FN3O2/c1-30-23-7-3-2-6-22(23)28-18-16-27(17-19-28)15-5-4-14-26-24(29)13-10-20-8-11-21(25)12-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,26,29)/b13-10+
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0.690n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132072
PNG
(3-(4-Formyl-phenyl)-N-{4-[4-(2-methoxy-phenyl)-pip...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(C=O)cc2)CC1
Show InChI InChI=1S/C25H31N3O3/c1-31-24-7-3-2-6-23(24)28-18-16-27(17-19-28)15-5-4-14-26-25(30)13-12-21-8-10-22(20-29)11-9-21/h2-3,6-13,20H,4-5,14-19H2,1H3,(H,26,30)/b13-12+
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0.730n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132067
PNG
(CHEMBL129465 | N-{4-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C24H30N4O4/c1-32-23-7-3-2-6-22(23)27-18-16-26(17-19-27)15-5-4-14-25-24(29)13-10-20-8-11-21(12-9-20)28(30)31/h2-3,6-13H,4-5,14-19H2,1H3,(H,25,29)/b13-10+
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0.740n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132053
PNG
(3-(2-Iodo-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piper...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccccc2I)CC1
Show InChI InChI=1S/C24H30IN3O2/c1-30-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-14-26-24(29)13-12-20-8-2-3-9-21(20)25/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,29)/b13-12+
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0.75n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50119380
PNG
(CHEMBL25236 | CHEMBL540612 | N-(4-(4-(2-methoxyphe...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
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0.920n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132022
PNG
(Biphenyl-4-carboxylic acid [4-((4aS,10bS)-7-hydrox...)
Show SMILES Oc1cccc2[C@@H]3CCCN(CCCCNC(=O)c4ccc(cc4)-c4ccccc4)[C@H]3CCc12
Show InChI InChI=1S/C30H34N2O2/c33-29-12-6-10-25-26-11-7-21-32(28(26)18-17-27(25)29)20-5-4-19-31-30(34)24-15-13-23(14-16-24)22-8-2-1-3-9-22/h1-3,6,8-10,12-16,26,28,33H,4-5,7,11,17-21H2,(H,31,34)/t26-,28-/m0/s1
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1n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132042
PNG
(3-Benzo[1,3]dioxol-5-yl-N-{4-[4-(2-methoxy-phenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C25H31N3O4/c1-30-22-7-3-2-6-21(22)28-16-14-27(15-17-28)13-5-4-12-26-25(29)11-9-20-8-10-23-24(18-20)32-19-31-23/h2-3,6-11,18H,4-5,12-17,19H2,1H3,(H,26,29)/b11-9+
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1n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132078
PNG
(4-Acetyl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)C(C)=O)CC1
Show InChI InChI=1S/C24H31N3O3/c1-19(28)20-9-11-21(12-10-20)24(29)25-13-5-6-14-26-15-17-27(18-16-26)22-7-3-4-8-23(22)30-2/h3-4,7-12H,5-6,13-18H2,1-2H3,(H,25,29)
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1n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132024
PNG
(3-(3-Iodo-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piper...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2cccc(I)c2)CC1
Show InChI InChI=1S/C24H30IN3O2/c1-30-23-10-3-2-9-22(23)28-17-15-27(16-18-28)14-5-4-13-26-24(29)12-11-20-7-6-8-21(25)19-20/h2-3,6-12,19H,4-5,13-18H2,1H3,(H,26,29)/b12-11+
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1.20n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132081
PNG
(3-(2,4-Dichloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Cl)cc2Cl)CC1
Show InChI InChI=1S/C24H29Cl2N3O2/c1-31-23-7-3-2-6-22(23)29-16-14-28(15-17-29)13-5-4-12-27-24(30)11-9-19-8-10-20(25)18-21(19)26/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,27,30)/b11-9+
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1.28n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132061
PNG
(3-(3,4-Dichloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
Show InChI InChI=1S/C24H29Cl2N3O2/c1-31-23-7-3-2-6-22(23)29-16-14-28(15-17-29)13-5-4-12-27-24(30)11-9-19-8-10-20(25)21(26)18-19/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,27,30)/b11-9+
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1.31n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50131926
PNG
(CHEMBL127400 | CHEMBL129022 | Isoquinoline-3-carbo...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3cn2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-16-14-28(15-17-29)13-7-6-12-26-25(30)22-18-20-8-2-3-9-21(20)19-27-22/h2-5,8-11,18-19H,6-7,12-17H2,1H3,(H,26,30)
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1.48n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132038
PNG
(5-Phenyl-penta-2,4-dienoic acid {4-[4-(2-methoxy-p...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\C=C\c2ccccc2)CC1
Show InChI InChI=1S/C26H33N3O2/c1-31-25-15-7-6-14-24(25)29-21-19-28(20-22-29)18-10-9-17-27-26(30)16-8-5-13-23-11-3-2-4-12-23/h2-8,11-16H,9-10,17-22H2,1H3,(H,27,30)/b13-5+,16-8+
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1.5n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132025
PNG
(2-Oxo-2H-chromene-3-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3oc2=O)CC1
Show InChI InChI=1S/C25H29N3O4/c1-31-23-11-5-3-9-21(23)28-16-14-27(15-17-28)13-7-6-12-26-24(29)20-18-19-8-2-4-10-22(19)32-25(20)30/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,26,29)
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1.80n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132041
PNG
(CHEMBL129429 | N-{4-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(cc2)C(F)(F)F)CC1
Show InChI InChI=1S/C25H30F3N3O2/c1-33-23-7-3-2-6-22(23)31-18-16-30(17-19-31)15-5-4-14-29-24(32)13-10-20-8-11-21(12-9-20)25(26,27)28/h2-3,6-13H,4-5,14-19H2,1H3,(H,29,32)/b13-10+
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2.14n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132030
PNG
(4-Benzoyl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)C(=O)c2ccccc2)CC1
Show InChI InChI=1S/C29H33N3O3/c1-35-27-12-6-5-11-26(27)32-21-19-31(20-22-32)18-8-7-17-30-29(34)25-15-13-24(14-16-25)28(33)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,30,34)
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2.5n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132080
PNG
(Biphenyl-4-carboxylic acid {4-[4-(2-methoxy-phenyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)-c2ccccc2)CC1
Show InChI InChI=1S/C28H33N3O2/c1-33-27-12-6-5-11-26(27)31-21-19-30(20-22-31)18-8-7-17-29-28(32)25-15-13-24(14-16-25)23-9-3-2-4-10-23/h2-6,9-16H,7-8,17-22H2,1H3,(H,29,32)
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2.85n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132044
PNG
(9-Oxo-9H-fluorene-4-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3C(=O)c4ccccc4-c23)CC1
Show InChI InChI=1S/C29H31N3O3/c1-35-26-14-5-4-13-25(26)32-19-17-31(18-20-32)16-7-6-15-30-29(34)24-12-8-11-23-27(24)21-9-2-3-10-22(21)28(23)33/h2-5,8-14H,6-7,15-20H2,1H3,(H,30,34)
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2.96n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132064
PNG
(4-Oxo-4H-chromene-3-carboxylic acid {4-[4-(2-metho...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2coc3ccccc3c2=O)CC1
Show InChI InChI=1S/C25H29N3O4/c1-31-23-11-5-3-9-21(23)28-16-14-27(15-17-28)13-7-6-12-26-25(30)20-18-32-22-10-4-2-8-19(22)24(20)29/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,26,30)
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3.30n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132032
PNG
(CHEMBL129035 | N-{4-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(\C=C\C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
Show InChI InChI=1S/C42H56N6O4/c1-51-39-13-5-3-11-37(39)47-31-27-45(28-32-47)25-9-7-23-43-41(49)21-19-35-15-17-36(18-16-35)20-22-42(50)44-24-8-10-26-46-29-33-48(34-30-46)38-12-4-6-14-40(38)52-2/h3-6,11-22H,7-10,23-34H2,1-2H3,(H,43,49)(H,44,50)/b21-19+,22-20+
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3.60n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50007179
PNG
(4-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(I)cc2)CC1
Show InChI InChI=1S/C22H28IN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
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3.90n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132075
PNG
(CHEMBL415520 | N-{4-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2cccc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C25H30F3N3O2/c1-33-23-10-3-2-9-22(23)31-17-15-30(16-18-31)14-5-4-13-29-24(32)12-11-20-7-6-8-21(19-20)25(26,27)28/h2-3,6-12,19H,4-5,13-18H2,1H3,(H,29,32)/b12-11+
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4.10n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132056
PNG
(CHEMBL340173 | N-{4-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)CCc2ccccc2)CC1
Show InChI InChI=1S/C24H33N3O2/c1-29-23-12-6-5-11-22(23)27-19-17-26(18-20-27)16-8-7-15-25-24(28)14-13-21-9-3-2-4-10-21/h2-6,9-12H,7-8,13-20H2,1H3,(H,25,28)
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4.80n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50077001
PNG
(1-Benzyl-4-(3-methyl-4-phenyl-pyrazol-1-yl)-piperi...)
Show SMILES Cc1nn(cc1-c1ccccc1)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H25N3/c1-18-22(20-10-6-3-7-11-20)17-25(23-18)21-12-14-24(15-13-21)16-19-8-4-2-5-9-19/h2-11,17,21H,12-16H2,1H3
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6.10n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132029
PNG
(5-(4-Chloro-phenyl)-furan-2-carboxylic acid {4-[4-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(o2)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C26H30ClN3O3/c1-32-24-7-3-2-6-22(24)30-18-16-29(17-19-30)15-5-4-14-28-26(31)25-13-12-23(33-25)20-8-10-21(27)11-9-20/h2-3,6-13H,4-5,14-19H2,1H3,(H,28,31)
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6.30n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50131934
PNG
(CHEMBL126439 | CHEMBL127317 | Quinoline-2-carboxyl...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C25H30N4O2/c1-31-24-11-5-4-10-23(24)29-18-16-28(17-19-29)15-7-6-14-26-25(30)22-13-12-20-8-2-3-9-21(20)27-22/h2-5,8-13H,6-7,14-19H2,1H3,(H,26,30)
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6.60n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132037
PNG
(3-Chloro-benzo[b]thiophene-2-carboxylic acid {4-[4...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2sc3ccccc3c2Cl)CC1
Show InChI InChI=1S/C24H28ClN3O2S/c1-30-20-10-4-3-9-19(20)28-16-14-27(15-17-28)13-7-6-12-26-24(29)23-22(25)18-8-2-5-11-21(18)31-23/h2-5,8-11H,6-7,12-17H2,1H3,(H,26,29)
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6.70n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50132032
PNG
(CHEMBL129035 | N-{4-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(\C=C\C(=O)NCCCCN3CCN(CC3)c3ccccc3OC)cc2)CC1
Show InChI InChI=1S/C42H56N6O4/c1-51-39-13-5-3-11-37(39)47-31-27-45(28-32-47)25-9-7-23-43-41(49)21-19-35-15-17-36(18-16-35)20-22-42(50)44-24-8-10-26-46-29-33-48(34-30-46)38-12-4-6-14-40(38)52-2/h3-6,11-22H,7-10,23-34H2,1-2H3,(H,43,49)(H,44,50)/b21-19+,22-20+
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7.20n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132071
PNG
(2-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccccc2I)CC1
Show InChI InChI=1S/C22H28IN3O2/c1-28-21-11-5-4-10-20(21)26-16-14-25(15-17-26)13-7-6-12-24-22(27)18-8-2-3-9-19(18)23/h2-5,8-11H,6-7,12-17H2,1H3,(H,24,27)
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7.80n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132068
PNG
(4-tert-Butyl-N-{4-[4-(2-methoxy-phenyl)-piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(cc2)C(C)(C)C)CC1
Show InChI InChI=1S/C26H37N3O2/c1-26(2,3)22-13-11-21(12-14-22)25(30)27-15-7-8-16-28-17-19-29(20-18-28)23-9-5-6-10-24(23)31-4/h5-6,9-14H,7-8,15-20H2,1-4H3,(H,27,30)
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7.99n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50132076
PNG
(3-Benzo[1,3]dioxol-4-yl-N-{4-[4-(2-methoxy-phenyl)...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2cccc3OCOc23)CC1
Show InChI InChI=1S/C25H31N3O4/c1-30-22-9-3-2-8-21(22)28-17-15-27(16-18-28)14-5-4-13-26-24(29)12-11-20-7-6-10-23-25(20)32-19-31-23/h2-3,6-12H,4-5,13-19H2,1H3,(H,26,29)/b12-11+
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8n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50132049
PNG
(3-Iodo-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)c2cccc(I)c2)CC1
Show InChI InChI=1S/C22H28IN3O2/c1-28-21-10-3-2-9-20(21)26-15-13-25(14-16-26)12-5-4-11-24-22(27)18-7-6-8-19(23)17-18/h2-3,6-10,17H,4-5,11-16H2,1H3,(H,24,27)
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9.20n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D3 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50132070
PNG
(CHEMBL338552 | N-{4-[4-(2-Methoxy-phenyl)-piperazi...)
Show SMILES COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2cccs2)CC1
Show InChI InChI=1S/C22H29N3O2S/c1-27-21-9-3-2-8-20(21)25-16-14-24(15-17-25)13-5-4-12-23-22(26)11-10-19-7-6-18-28-19/h2-3,6-11,18H,4-5,12-17H2,1H3,(H,23,26)/b11-10+
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9.5n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Binding affinity for human dopamine receptor D2 by displacing [125I]-iodosulpiride expressed in CHO cells


J Med Chem 46: 3883-99 (2003)


Article DOI: 10.1021/jm030836n
BindingDB Entry DOI: 10.7270/Q23F4P18
More data for this
Ligand-Target Pair
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