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3 similar compounds to monomer 50213574

Compile data set for download or QSAR
Wt: 403.9
BDBM50034801
Wt: 389.8
BDBM50034800
Wt: 417.9
BDBM50034802

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50034801,50034800,50034802   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034802
PNG
(CHEMBL3361004)
Show SMILES Cn1c2ncn(CCCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H27N5O2.ClH/c1-23-19-18(20(27)24(2)21(23)28)26(15-22-19)12-7-3-6-11-25-13-10-16-8-4-5-9-17(16)14-25;/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3;1H
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171n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1AR in rat hippocampus


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034801
PNG
(CHEMBL3361003)
Show SMILES Cn1c2ncn(CCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H25N5O2.ClH/c1-22-18-17(19(26)23(2)20(22)27)25(14-21-18)11-6-5-10-24-12-9-15-7-3-4-8-16(15)13-24;/h3-4,7-8,14H,5-6,9-13H2,1-2H3;1H
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239n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1AR in rat hippocampus


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034800
PNG
(CHEMBL3361002)
Show SMILES Cn1c2ncn(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O2.ClH/c1-21-17-16(18(25)22(2)19(21)26)24(13-20-17)10-5-9-23-11-8-14-6-3-4-7-15(14)12-23;/h3-4,6-7,13H,5,8-12H2,1-2H3;1H
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433n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5-HT1AR in rat hippocampus


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50034801
PNG
(CHEMBL3361003)
Show SMILES Cn1c2ncn(CCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H25N5O2.ClH/c1-22-18-17(19(26)23(2)20(22)27)25(14-21-18)11-6-5-10-24-12-9-15-7-3-4-8-16(15)13-24;/h3-4,7-8,14H,5-6,9-13H2,1-2H3;1H
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629n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]]-5-CT from human cloned 5-HT7R expressed in HEK293 cells


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50034802
PNG
(CHEMBL3361004)
Show SMILES Cn1c2ncn(CCCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H27N5O2.ClH/c1-23-19-18(20(27)24(2)21(23)28)26(15-22-19)12-7-3-6-11-25-13-10-16-8-4-5-9-17(16)14-25;/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3;1H
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1.01E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]]-5-CT from human cloned 5-HT7R expressed in HEK293 cells


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50034802
PNG
(CHEMBL3361004)
Show SMILES Cn1c2ncn(CCCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H27N5O2.ClH/c1-23-19-18(20(27)24(2)21(23)28)26(15-22-19)12-7-3-6-11-25-13-10-16-8-4-5-9-17(16)14-25;/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3;1H
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1.22E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50034800
PNG
(CHEMBL3361002)
Show SMILES Cn1c2ncn(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O2.ClH/c1-21-17-16(18(25)22(2)19(21)26)24(13-20-17)10-5-9-23-11-8-14-6-3-4-7-15(14)12-23;/h3-4,6-7,13H,5,8-12H2,1-2H3;1H
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2.71E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50034800
PNG
(CHEMBL3361002)
Show SMILES Cn1c2ncn(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O2.ClH/c1-21-17-16(18(25)22(2)19(21)26)24(13-20-17)10-5-9-23-11-8-14-6-3-4-7-15(14)12-23;/h3-4,6-7,13H,5,8-12H2,1-2H3;1H
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3.62E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]]-5-CT from human cloned 5-HT7R expressed in HEK293 cells


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50034801
PNG
(CHEMBL3361003)
Show SMILES Cn1c2ncn(CCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H25N5O2.ClH/c1-22-18-17(19(26)23(2)20(22)27)25(14-21-18)11-6-5-10-24-12-9-15-7-3-4-8-16(15)13-24;/h3-4,7-8,14H,5-6,9-13H2,1-2H3;1H
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7.82E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor in rat striatum


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50034802
PNG
(CHEMBL3361004)
Show SMILES Cn1c2ncn(CCCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H27N5O2.ClH/c1-23-19-18(20(27)24(2)21(23)28)26(15-22-19)12-7-3-6-11-25-13-10-16-8-4-5-9-17(16)14-25;/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3;1H
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9.14E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034800
PNG
(CHEMBL3361002)
Show SMILES Cn1c2ncn(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O2.ClH/c1-21-17-16(18(25)22(2)19(21)26)24(13-20-17)10-5-9-23-11-8-14-6-3-4-7-15(14)12-23;/h3-4,6-7,13H,5,8-12H2,1-2H3;1H
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1.05E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-HT2AR in rat cortex


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50034801
PNG
(CHEMBL3361003)
Show SMILES Cn1c2ncn(CCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H25N5O2.ClH/c1-22-18-17(19(26)23(2)20(22)27)25(14-21-18)11-6-5-10-24-12-9-15-7-3-4-8-16(15)13-24;/h3-4,7-8,14H,5-6,9-13H2,1-2H3;1H
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1.17E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50034800
PNG
(CHEMBL3361002)
Show SMILES Cn1c2ncn(CCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C19H23N5O2.ClH/c1-21-17-16(18(25)22(2)19(21)26)24(13-20-17)10-5-9-23-11-8-14-6-3-4-7-15(14)12-23;/h3-4,6-7,13H,5,8-12H2,1-2H3;1H
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1.23E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034802
PNG
(CHEMBL3361004)
Show SMILES Cn1c2ncn(CCCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H27N5O2.ClH/c1-23-19-18(20(27)24(2)21(23)28)26(15-22-19)12-7-3-6-11-25-13-10-16-8-4-5-9-17(16)14-25;/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3;1H
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1.64E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-HT2AR in rat cortex


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50034801
PNG
(CHEMBL3361003)
Show SMILES Cn1c2ncn(CCCCN3CCc4ccccc4C3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H25N5O2.ClH/c1-22-18-17(19(26)23(2)20(22)27)25(14-21-18)11-6-5-10-24-12-9-15-7-3-4-8-16(15)13-24;/h3-4,7-8,14H,5-6,9-13H2,1-2H3;1H
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2.20E+4n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from 5-HT2AR in rat cortex


Bioorg Med Chem 23: 212-21 (2014)


Article DOI: 10.1016/j.bmc.2014.11.008
BindingDB Entry DOI: 10.7270/Q2WD425D
More data for this
Ligand-Target Pair