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BDBM50058227 CHEMBL298763::N-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-benzamide

SMILES: Clc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1

InChI Key: InChIKey=NZCZNMGSFLEVRM-UHFFFAOYSA-N

Data: 6 KI  1 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 7 hits for monomerid = 50058227   
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(4) dopamine receptor


(Homo sapiens (Human))
BDBM50058227
PNG
(CHEMBL298763 | N-[4-(2-Chloro-phenyl)-piperazin-1-...)
Show SMILES Clc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
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32n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D4 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50058227
PNG
(CHEMBL298763 | N-[4-(2-Chloro-phenyl)-piperazin-1-...)
Show SMILES Clc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
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32.4n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Binding affinity of compound towards human dopamine receptor D4 was determined


Bioorg Med Chem Lett 15: 2149-57 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.012
BindingDB Entry DOI: 10.7270/Q2RR20G2
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50058227
PNG
(CHEMBL298763 | N-[4-(2-Chloro-phenyl)-piperazin-1-...)
Show SMILES Clc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
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107n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor D4 expressed in CHO cells was determined by using [3H]thymidine as radioligand


Bioorg Med Chem Lett 15: 2149-57 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.012
BindingDB Entry DOI: 10.7270/Q2RR20G2
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50058227
PNG
(CHEMBL298763 | N-[4-(2-Chloro-phenyl)-piperazin-1-...)
Show SMILES Clc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
PDB

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177n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D3 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50058227
PNG
(CHEMBL298763 | N-[4-(2-Chloro-phenyl)-piperazin-1-...)
Show SMILES Clc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
PDB

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178n/an/an/an/an/an/an/an/a



Pomona College

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor D2 was determined by using [3H]spiperone as radioligand


Bioorg Med Chem Lett 15: 2149-57 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.012
BindingDB Entry DOI: 10.7270/Q2RR20G2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50058227
PNG
(CHEMBL298763 | N-[4-(2-Chloro-phenyl)-piperazin-1-...)
Show SMILES Clc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
PDB

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1.50E+3n/an/an/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2 expressed in CHO K1 transfected cells using [3H]-Spiperone as radioligand


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50058227
PNG
(CHEMBL298763 | N-[4-(2-Chloro-phenyl)-piperazin-1-...)
Show SMILES Clc1ccccc1N1CCN(CNC(=O)c2ccccc2)CC1
Show InChI InChI=1S/C18H20ClN3O/c19-16-8-4-5-9-17(16)22-12-10-21(11-13-22)14-20-18(23)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
Reactome pathway
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PubMed
n/an/an/an/a 106n/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Agonist activation of human dopamine receptor stimulating mitogenesis in Dopamine receptor D4-transfected CHO pro-5 cells using [3H]-thymidine as rad...


J Med Chem 40: 1771-2 (1997)


Article DOI: 10.1021/jm970021c
BindingDB Entry DOI: 10.7270/Q2DB80XX
More data for this
Ligand-Target Pair