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BDBM50199141 CHEMBL3898250

SMILES: Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1

InChI Key: InChIKey=CDKCTEJHUVKKNR-UHFFFAOYSA-N

Data: 18 KI

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 18 hits for monomerid = 50199141   
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 7


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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0.468n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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0.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT7 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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15n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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16n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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50n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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50n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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109n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT2B receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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110n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from human 5-HT2B receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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128n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from human 5-HT2C receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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129n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-mesulergine from human 5-HT2C receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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550n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human histamine H1 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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553n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human histamine H1 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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748n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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776n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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783n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
PDB
MMDB

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794n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-ketanserin from human 5-HT2A receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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946n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50199141
PNG
(CHEMBL3898250)
Show SMILES Cl.Clc1ccc2C(=O)C(CCN3CCc4ccccc4C3)Cc2c1
Show InChI InChI=1S/C20H20ClNO.ClH/c21-18-5-6-19-17(12-18)11-15(20(19)23)8-10-22-9-7-14-3-1-2-4-16(14)13-22;/h1-6,12,15H,7-11,13H2;1H
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955n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting method


Bioorg Med Chem 24: 5730-5740 (2016)


Article DOI: 10.1016/j.bmc.2016.09.019
BindingDB Entry DOI: 10.7270/Q2639RQF
More data for this
Ligand-Target Pair