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12 similar compounds to monomer 50373901

Compile data set for download or QSAR
Wt: 390.5
BDBM50325743
Wt: 390.5
BDBM50325746
Wt: 420.5
BDBM50329675
Wt: 405.5
BDBM50373891
Wt: 404.5
BDBM50373892
Wt: 434.5
BDBM50373893
Wt: 420.5
BDBM50373894
Wt: 406.5
BDBM50373895
Wt: 434.5
BDBM50373898
Wt: 406.5
BDBM50373899
Wt: 376.4
BDBM50373902
Wt: 362.4
BDBM50373903

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50325743,50325746,50329675,50373891,50373892,50373893,50373894,50373895,50373898,50373899,50373902,50373903   
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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50329675
PNG
(6-methoxy-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)...)
Show SMILES COc1ccc2nc(NCCCCN3CCN(CC3)c3ccccc3OC)ccc2c1
Show InChI InChI=1S/C25H32N4O2/c1-30-21-10-11-22-20(19-21)9-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)
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0.200n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 51: 1492-5 (2008)


Article DOI: 10.1021/jm7013919
BindingDB Entry DOI: 10.7270/Q2NG4RHP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50329675
PNG
(6-methoxy-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)...)
Show SMILES COc1ccc2nc(NCCCCN3CCN(CC3)c3ccccc3OC)ccc2c1
Show InChI InChI=1S/C25H32N4O2/c1-30-21-10-11-22-20(19-21)9-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)
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0.200n/an/an/an/an/an/an/an/a



Università degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 6628-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.027
BindingDB Entry DOI: 10.7270/Q26M372M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50373895
PNG
(CHEMBL259686)
Show SMILES COc1ccc2ccc(NCCCN3CCN(CC3)c3ccccc3OC)nc2c1
Show InChI InChI=1S/C24H30N4O2/c1-29-20-10-8-19-9-11-24(26-21(19)18-20)25-12-5-13-27-14-16-28(17-15-27)22-6-3-4-7-23(22)30-2/h3-4,6-11,18H,5,12-17H2,1-2H3,(H,25,26)
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0.200n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 51: 1492-5 (2008)


Article DOI: 10.1021/jm7013919
BindingDB Entry DOI: 10.7270/Q2NG4RHP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50373891
PNG
(CHEMBL410515)
Show SMILES COc1ccccc1N1CCN(CCCCNc2ccc3cc(N)ccc3n2)CC1
Show InChI InChI=1S/C24H31N5O/c1-30-23-7-3-2-6-22(23)29-16-14-28(15-17-29)13-5-4-12-26-24-11-8-19-18-20(25)9-10-21(19)27-24/h2-3,6-11,18H,4-5,12-17,25H2,1H3,(H,26,27)
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0.380n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 51: 1492-5 (2008)


Article DOI: 10.1021/jm7013919
BindingDB Entry DOI: 10.7270/Q2NG4RHP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50373893
PNG
(CHEMBL261383)
Show SMILES COc1ccc2ccc(NCCCCCN3CCN(CC3)c3ccccc3OC)nc2c1
Show InChI InChI=1S/C26H34N4O2/c1-31-22-12-10-21-11-13-26(28-23(21)20-22)27-14-6-3-7-15-29-16-18-30(19-17-29)24-8-4-5-9-25(24)32-2/h4-5,8-13,20H,3,6-7,14-19H2,1-2H3,(H,27,28)
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0.5n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 51: 1492-5 (2008)


Article DOI: 10.1021/jm7013919
BindingDB Entry DOI: 10.7270/Q2NG4RHP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50373892
PNG
(CHEMBL261600)
Show SMILES COc1ccccc1N1CCN(CCCCNc2ccc3cc(C)ccc3n2)CC1
Show InChI InChI=1S/C25H32N4O/c1-20-9-11-22-21(19-20)10-12-25(27-22)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)30-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)
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0.540n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 51: 1492-5 (2008)


Article DOI: 10.1021/jm7013919
BindingDB Entry DOI: 10.7270/Q2NG4RHP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50325746
PNG
(CHEMBL1223748 | N-(4-(4-(2-methoxyphenyl)piperazin...)
Show SMILES COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-13-25-24-21-9-3-2-8-20(21)12-14-26-24/h2-5,8-12,14H,6-7,13,15-19H2,1H3,(H,25,26)
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1n/an/an/an/an/an/an/an/a



Université de Rennes I

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 5376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.096
BindingDB Entry DOI: 10.7270/Q2TH8MXT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50373898
PNG
(CHEMBL261824)
Show SMILES COc1ccc2nc(NCCCCCN3CCN(CC3)c3ccccc3OC)ccc2c1
Show InChI InChI=1S/C26H34N4O2/c1-31-22-11-12-23-21(20-22)10-13-26(28-23)27-14-6-3-7-15-29-16-18-30(19-17-29)24-8-4-5-9-25(24)32-2/h4-5,8-13,20H,3,6-7,14-19H2,1-2H3,(H,27,28)
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2.60n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 51: 1492-5 (2008)


Article DOI: 10.1021/jm7013919
BindingDB Entry DOI: 10.7270/Q2NG4RHP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50373894
PNG
(CHEMBL270736)
Show SMILES COc1ccc2ccc(NCCCCN3CCN(CC3)c3ccccc3OC)nc2c1
Show InChI InChI=1S/C25H32N4O2/c1-30-21-11-9-20-10-12-25(27-22(20)19-21)26-13-5-6-14-28-15-17-29(18-16-28)23-7-3-4-8-24(23)31-2/h3-4,7-12,19H,5-6,13-18H2,1-2H3,(H,26,27)
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4.60n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 51: 1492-5 (2008)


Article DOI: 10.1021/jm7013919
BindingDB Entry DOI: 10.7270/Q2NG4RHP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50325743
PNG
(CHEMBL271989 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-14-25-24-13-12-20-8-2-3-9-21(20)26-24/h2-5,8-13H,6-7,14-19H2,1H3,(H,25,26)
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5.60n/an/an/an/an/an/an/an/a



Université de Rennes I

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK293 cells


Bioorg Med Chem Lett 20: 5376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.096
BindingDB Entry DOI: 10.7270/Q2TH8MXT
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50325746
PNG
(CHEMBL1223748 | N-(4-(4-(2-methoxyphenyl)piperazin...)
Show SMILES COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-13-25-24-21-9-3-2-8-20(21)12-14-26-24/h2-5,8-12,14H,6-7,13,15-19H2,1H3,(H,25,26)
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6n/an/an/an/an/an/an/an/a



Université de Rennes I

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor


Bioorg Med Chem Lett 20: 5376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.096
BindingDB Entry DOI: 10.7270/Q2TH8MXT
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50325743
PNG
(CHEMBL271989 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-14-25-24-13-12-20-8-2-3-9-21(20)26-24/h2-5,8-13H,6-7,14-19H2,1H3,(H,25,26)
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6n/an/an/an/an/an/an/an/a



Université de Rennes I

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor


Bioorg Med Chem Lett 20: 5376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.096
BindingDB Entry DOI: 10.7270/Q2TH8MXT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50373902
PNG
(CHEMBL405228)
Show SMILES COc1ccccc1N1CCN(CCCNc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C23H28N4O/c1-28-22-10-5-4-9-21(22)27-17-15-26(16-18-27)14-6-13-24-23-12-11-19-7-2-3-8-20(19)25-23/h2-5,7-12H,6,13-18H2,1H3,(H,24,25)
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13n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 51: 1492-5 (2008)


Article DOI: 10.1021/jm7013919
BindingDB Entry DOI: 10.7270/Q2NG4RHP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50325743
PNG
(CHEMBL271989 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-14-25-24-13-12-20-8-2-3-9-21(20)26-24/h2-5,8-13H,6-7,14-19H2,1H3,(H,25,26)
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15n/an/an/an/an/an/an/an/a



Université de Rennes I

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.096
BindingDB Entry DOI: 10.7270/Q2TH8MXT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50373899
PNG
(CHEMBL258600)
Show SMILES COc1ccc2nc(NCCCN3CCN(CC3)c3ccccc3OC)ccc2c1
Show InChI InChI=1S/C24H30N4O2/c1-29-20-9-10-21-19(18-20)8-11-24(26-21)25-12-5-13-27-14-16-28(17-15-27)22-6-3-4-7-23(22)30-2/h3-4,6-11,18H,5,12-17H2,1-2H3,(H,25,26)
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22n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 51: 1492-5 (2008)


Article DOI: 10.1021/jm7013919
BindingDB Entry DOI: 10.7270/Q2NG4RHP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50373903
PNG
(CHEMBL259887)
Show SMILES COc1ccccc1N1CCN(CCNc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C22H26N4O/c1-27-21-9-5-4-8-20(21)26-16-14-25(15-17-26)13-12-23-22-11-10-18-6-2-3-7-19(18)24-22/h2-11H,12-17H2,1H3,(H,23,24)
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33n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 51: 1492-5 (2008)


Article DOI: 10.1021/jm7013919
BindingDB Entry DOI: 10.7270/Q2NG4RHP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50325746
PNG
(CHEMBL1223748 | N-(4-(4-(2-methoxyphenyl)piperazin...)
Show SMILES COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1
Show InChI InChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-13-25-24-21-9-3-2-8-20(21)12-14-26-24/h2-5,8-12,14H,6-7,13,15-19H2,1H3,(H,25,26)
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70n/an/an/an/an/an/an/an/a



Université de Rennes I

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 5376-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.096
BindingDB Entry DOI: 10.7270/Q2TH8MXT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50325743
PNG
(CHEMBL271989 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1
Show InChI InChI=1S/C24H30N4O/c1-29-23-11-5-4-10-22(23)28-18-16-27(17-19-28)15-7-6-14-25-24-13-12-20-8-2-3-9-21(20)26-24/h2-5,8-13H,6-7,14-19H2,1H3,(H,25,26)
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97n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 120 mins


J Med Chem 51: 1492-5 (2008)


Article DOI: 10.1021/jm7013919
BindingDB Entry DOI: 10.7270/Q2NG4RHP
More data for this
Ligand-Target Pair