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BDBM50145081 2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole::CHEMBL77563

SMILES: Clc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1

InChI Key: InChIKey=ATPCXZFSRSVMMW-UHFFFAOYSA-N

Data: 3 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 5 hits for monomerid = 50145081   
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))
BDBM50145081
PNG
(2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)
Show SMILES Clc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-14-5-1-4-8-17(14)23-11-9-22(10-12-23)13-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H,20,21)
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PC sid
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Article
PubMed
8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50145081
PNG
(2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)
Show SMILES Clc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-14-5-1-4-8-17(14)23-11-9-22(10-12-23)13-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H,20,21)
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Article
PubMed
8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50145081
PNG
(2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)
Show SMILES Clc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-14-5-1-4-8-17(14)23-11-9-22(10-12-23)13-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H,20,21)
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D2 using [3H]spiperone as radioligand


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50145081
PNG
(2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)
Show SMILES Clc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-14-5-1-4-8-17(14)23-11-9-22(10-12-23)13-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H,20,21)
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n/an/an/an/a 7.20n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro EC50 tested on HEK293 cells co-transfected with human Dopamine receptor D4.4 using FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50145081
PNG
(2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)
Show SMILES Clc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-14-5-1-4-8-17(14)23-11-9-22(10-12-23)13-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H,20,21)
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against human Dopamine receptor D4


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair