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BDBM50297859 1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-(2-methoxyethyl)-N-methylpiperidin-4-amine::CHEMBL550337

SMILES: COCCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1

InChI Key: InChIKey=FLZIWHXEHDCVMN-UHFFFAOYSA-N

Data: 2 KI  2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50297859   
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))
BDBM50297859
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES COCCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H29FN4O/c1-26(15-16-29-2)20-11-13-27(14-12-20)23-25-21-5-3-4-6-22(21)28(23)17-18-7-9-19(24)10-8-18/h3-10,20H,11-17H2,1-2H3
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PubMed
2.20n/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))
BDBM50297859
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES COCCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H29FN4O/c1-26(15-16-29-2)20-11-13-27(14-12-20)23-25-21-5-3-4-6-22(21)28(23)17-18-7-9-19(24)10-8-18/h3-10,20H,11-17H2,1-2H3
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Article
PubMed
40n/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))
BDBM50297859
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES COCCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H29FN4O/c1-26(15-16-29-2)20-11-13-27(14-12-20)23-25-21-5-3-4-6-22(21)28(23)17-18-7-9-19(24)10-8-18/h3-10,20H,11-17H2,1-2H3
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Article
PubMed
n/an/a 4.44E+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))
BDBM50297859
PNG
(1-(1-(4-fluorobenzyl)-1H-benzo[d]imidazol-2-yl)-N-...)
Show SMILES COCCN(C)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C23H29FN4O/c1-26(15-16-29-2)20-11-13-27(14-12-20)23-25-21-5-3-4-6-22(21)28(23)17-18-7-9-19(24)10-8-18/h3-10,20H,11-17H2,1-2H3
PDB
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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