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BDBM50297863 CHEMBL563451::N,N-dimethyl-1-(1-(4-methylbenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-4-amine

SMILES: CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(C)cc1

InChI Key: InChIKey=AVFYUSOOXDDQAW-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50297863   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50297863
PNG
(CHEMBL563451 | N,N-dimethyl-1-(1-(4-methylbenzyl)-...)
Show SMILES CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(C)cc1
Show InChI InChI=1S/C22H28N4/c1-17-8-10-18(11-9-17)16-26-21-7-5-4-6-20(21)23-22(26)25-14-12-19(13-15-25)24(2)3/h4-11,19H,12-16H2,1-3H3
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Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50297863
PNG
(CHEMBL563451 | N,N-dimethyl-1-(1-(4-methylbenzyl)-...)
Show SMILES CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(C)cc1
Show InChI InChI=1S/C22H28N4/c1-17-8-10-18(11-9-17)16-26-21-7-5-4-6-20(21)23-22(26)25-14-12-19(13-15-25)24(2)3/h4-11,19H,12-16H2,1-3H3
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Article
PubMed
73n/an/an/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells at 37 degC by liquid scintillation assay


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50297863
PNG
(CHEMBL563451 | N,N-dimethyl-1-(1-(4-methylbenzyl)-...)
Show SMILES CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(C)cc1
Show InChI InChI=1S/C22H28N4/c1-17-8-10-18(11-9-17)16-26-21-7-5-4-6-20(21)23-22(26)25-14-12-19(13-15-25)24(2)3/h4-11,19H,12-16H2,1-3H3
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Article
PubMed
n/an/a 7.21E+3n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50297863
PNG
(CHEMBL563451 | N,N-dimethyl-1-(1-(4-methylbenzyl)-...)
Show SMILES CN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(C)cc1
Show InChI InChI=1S/C22H28N4/c1-17-8-10-18(11-9-17)16-26-21-7-5-4-6-20(21)23-22(26)25-14-12-19(13-15-25)24(2)3/h4-11,19H,12-16H2,1-3H3
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PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 19: 4380-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.086
BindingDB Entry DOI: 10.7270/Q2KS6RM8
More data for this
Ligand-Target Pair