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BDBM80444 1-benzyl-5-chloro-3-ethyl-2-methyl-benzimidazol-1-ium;iodide::1-benzyl-5-chloro-3-ethyl-2-methylbenzimidazol-1-ium;iodide::5-chloranyl-3-ethyl-2-methyl-1-(phenylmethyl)benzimidazol-1-ium;iodide::5-chloro-3-ethyl-2-methyl-1-(phenylmethyl)benzimidazol-1-ium;iodide::MLS000717961::SMR000279529::cid_16187728

SMILES: CCn1c(C)[n+](Cc2ccccc2)c2ccc(Cl)cc12

InChI Key: InChIKey=MORXZDKUZFIOQS-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 80444   
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
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80444
PNG
(1-benzyl-5-chloro-3-ethyl-2-methyl-benzimidazol-1-...)
Show SMILES CCn1c(C)[n+](Cc2ccccc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H18ClN2/c1-3-19-13(2)20(12-14-7-5-4-6-8-14)16-10-9-15(18)11-17(16)19/h4-11H,3,12H2,1-2H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.27E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2862DX0
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80444
PNG
(1-benzyl-5-chloro-3-ethyl-2-methyl-benzimidazol-1-...)
Show SMILES CCn1c(C)[n+](Cc2ccccc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H18ClN2/c1-3-19-13(2)20(12-14-7-5-4-6-8-14)16-10-9-15(18)11-17(16)19/h4-11H,3,12H2,1-2H3/q+1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.39E+3n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q24F1P6P
More data for this
Ligand-Target Pair