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BDBM50132069 3-(4-Fluoro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide::CHEMBL338606

SMILES: COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(F)cc2)CC1

InChI Key: InChIKey=ZIAICQQANCNQNU-JLHYYAGUSA-N

Data: 7 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50132069   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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0.340n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
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(2) 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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20.7n/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(2) 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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21n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2short receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
D(2) 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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27n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2long receptor expressed in CHO cells


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
5-HT2


(PIG)
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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330n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-HT2 receptor in porcine cerebral cortex membranes


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
Dopamine D1 receptor


(Sus scrofa)
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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1.10E+3n/an/an/an/an/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Displacement of [3H]SCH 23990 from dopamine D1 receptor in porcine cerebral cortex membranes


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair
D(2) 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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n/an/an/an/a 1.70n/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine receptor D2long expressed in CHO10001 cells assessed as stimulation of incorporation [3H]-thymidine incorporation


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
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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n/an/an/an/a 3.90n/an/an/an/a



Friedrich-Alexander-Universität Erlangen-Nürnberg

Curated by ChEMBL


Assay Description
Agonist activity at human dopamine D3 receptor expressed in CHO dhfr-negative cells assessed as stimulation of [3H]-thymidine incorporation


Bioorg Med Chem Lett 20: 6933-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.142
BindingDB Entry DOI: 10.7270/Q2474B38
More data for this
Ligand-Target Pair