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BDBM50200029 6-(4-((1H-benzo[d]imidazol-2-yl)methyl)piperazin-1-yl)pyridin-3-ol::A-425444::CHEMBL219179

SMILES: Oc1ccc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1

InChI Key: InChIKey=CBDXXUZXRDBOGH-UHFFFAOYSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50200029   
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))
BDBM50200029
PNG
(6-(4-((1H-benzo[d]imidazol-2-yl)methyl)piperazin-1...)
Show SMILES Oc1ccc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C17H19N5O/c23-13-5-6-17(18-11-13)22-9-7-21(8-10-22)12-16-19-14-3-1-2-4-15(14)20-16/h1-6,11,23H,7-10,12H2,(H,19,20)
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PubMed
17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50200029
PNG
(6-(4-((1H-benzo[d]imidazol-2-yl)methyl)piperazin-1...)
Show SMILES Oc1ccc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C17H19N5O/c23-13-5-6-17(18-11-13)22-9-7-21(8-10-22)12-16-19-14-3-1-2-4-15(14)20-16/h1-6,11,23H,7-10,12H2,(H,19,20)
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 to human D2S receptor


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50200029
PNG
(6-(4-((1H-benzo[d]imidazol-2-yl)methyl)piperazin-1...)
Show SMILES Oc1ccc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C17H19N5O/c23-13-5-6-17(18-11-13)22-9-7-21(8-10-22)12-16-19-14-3-1-2-4-15(14)20-16/h1-6,11,23H,7-10,12H2,(H,19,20)
PDB

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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]7-OH-PIPAT from human D2L receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50200029
PNG
(6-(4-((1H-benzo[d]imidazol-2-yl)methyl)piperazin-1...)
Show SMILES Oc1ccc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C17H19N5O/c23-13-5-6-17(18-11-13)22-9-7-21(8-10-22)12-16-19-14-3-1-2-4-15(14)20-16/h1-6,11,23H,7-10,12H2,(H,19,20)
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n/an/an/an/a 2.40n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50200029
PNG
(6-(4-((1H-benzo[d]imidazol-2-yl)methyl)piperazin-1...)
Show SMILES Oc1ccc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C17H19N5O/c23-13-5-6-17(18-11-13)22-9-7-21(8-10-22)12-16-19-14-3-1-2-4-15(14)20-16/h1-6,11,23H,7-10,12H2,(H,19,20)
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 14n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at rat D4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50200029
PNG
(6-(4-((1H-benzo[d]imidazol-2-yl)methyl)piperazin-1...)
Show SMILES Oc1ccc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C17H19N5O/c23-13-5-6-17(18-11-13)22-9-7-21(8-10-22)12-16-19-14-3-1-2-4-15(14)20-16/h1-6,11,23H,7-10,12H2,(H,19,20)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at ferret D4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair