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BDBM50316931 1-(4-fluorobenzyl)-2-(1-isopropylpiperidin-3-yl)-1H-benzo[d]imidazole::CHEMBL1098766

SMILES: CC(C)N1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1

InChI Key: InChIKey=XVMSTDBLFRGHSD-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 = 50316931   
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))
BDBM50316931
PNG
(1-(4-fluorobenzyl)-2-(1-isopropylpiperidin-3-yl)-1...)
Show SMILES CC(C)N1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C22H26FN3/c1-16(2)25-13-5-6-18(15-25)22-24-20-7-3-4-8-21(20)26(22)14-17-9-11-19(23)12-10-17/h3-4,7-12,16,18H,5-6,13-15H2,1-2H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.37E+3n/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))
BDBM50316931
PNG
(1-(4-fluorobenzyl)-2-(1-isopropylpiperidin-3-yl)-1...)
Show SMILES CC(C)N1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C22H26FN3/c1-16(2)25-13-5-6-18(15-25)22-24-20-7-3-4-8-21(20)26(22)14-17-9-11-19(23)12-10-17/h3-4,7-12,16,18H,5-6,13-15H2,1-2H3
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