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BDBM50316930 2-(1-cyclohexylpiperidin-3-yl)-1-(4-fluorobenzyl)-1H-benzo[d]imidazole::CHEMBL1094525

SMILES: Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCCCC2)cc1

InChI Key: InChIKey=HJXPDUZXVIVZJB-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50316930   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50316930
PNG
(2-(1-cyclohexylpiperidin-3-yl)-1-(4-fluorobenzyl)-...)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCCCC2)cc1
Show InChI InChI=1S/C25H30FN3/c26-21-14-12-19(13-15-21)17-29-24-11-5-4-10-23(24)27-25(29)20-7-6-16-28(18-20)22-8-2-1-3-9-22/h4-5,10-15,20,22H,1-3,6-9,16-18H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
926n/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 by liquid scintillation counting


Bioorg Med Chem Lett 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50316930
PNG
(2-(1-cyclohexylpiperidin-3-yl)-1-(4-fluorobenzyl)-...)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(C2)C2CCCCC2)cc1
Show InChI InChI=1S/C25H30FN3/c26-21-14-12-19(13-15-21)17-29-24-11-5-4-10-23(24)27-25(29)20-7-6-16-28(18-20)22-8-2-1-3-9-22/h4-5,10-15,20,22H,1-3,6-9,16-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
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 20: 2916-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.027
BindingDB Entry DOI: 10.7270/Q20865G0
More data for this
Ligand-Target Pair