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BDBM61339 2-[(2Z)-2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1,3-benzothiazol-3-yl]ethanol;iodide::2-[(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylene]-1,3-benzothiazol-3-yl]ethanol;iodide::2-[(2Z)-2-[(1-methylpyridin-1-ium-2-yl)methylidene]-1,3-benzothiazol-3-yl]ethanol;iodide::2-[3-(2-Hydroxy-ethyl)-3H-benzothiazol-2-ylidenemethyl]-1-methyl-pyridinium::MLS001212885::SMR000518478::cid_24747025

SMILES: C[n+]1ccccc1\C=C1/Sc2ccccc2N1CCO

InChI Key: InChIKey=VHMYRIWZTCFOPT-UHFFFAOYSA-N

Data: 4 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 = 61339   
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
poly(A) binding protein, cytoplasmic 1


(Homo sapiens (Human))
BDBM61339
PNG
(2-[(2Z)-2-[(1-methyl-2-pyridin-1-iumyl)methylidene...)
Show SMILES C[n+]1ccccc1\C=C1/Sc2ccccc2N1CCO
Show InChI InChI=1S/C16H17N2OS/c1-17-9-5-4-6-13(17)12-16-18(10-11-19)14-7-2-3-8-15(14)20-16/h2-9,12,19H,10-11H2,1H3/q+1
PDB
MMDB

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.22E+3n/an/an/an/an/an/a



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 (2009)


BindingDB Entry DOI: 10.7270/Q2ZC819K
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM61339
PNG
(2-[(2Z)-2-[(1-methyl-2-pyridin-1-iumyl)methylidene...)
Show SMILES C[n+]1ccccc1\C=C1/Sc2ccccc2N1CCO
Show InChI InChI=1S/C16H17N2OS/c1-17-9-5-4-6-13(17)12-16-18(10-11-19)14-7-2-3-8-15(14)20-16/h2-9,12,19H,10-11H2,1H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 2.53E+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))
BDBM61339
PNG
(2-[(2Z)-2-[(1-methyl-2-pyridin-1-iumyl)methylidene...)
Show SMILES C[n+]1ccccc1\C=C1/Sc2ccccc2N1CCO
Show InChI InChI=1S/C16H17N2OS/c1-17-9-5-4-6-13(17)12-16-18(10-11-19)14-7-2-3-8-15(14)20-16/h2-9,12,19H,10-11H2,1H3/q+1
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n/an/a 1.08E+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
Eukaryotic translation initiation factor 4H


(Homo sapiens (Human))
BDBM61339
PNG
(2-[(2Z)-2-[(1-methyl-2-pyridin-1-iumyl)methylidene...)
Show SMILES C[n+]1ccccc1\C=C1/Sc2ccccc2N1CCO
Show InChI InChI=1S/C16H17N2OS/c1-17-9-5-4-6-13(17)12-16-18(10-11-19)14-7-2-3-8-15(14)20-16/h2-9,12,19H,10-11H2,1H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.00E+5n/an/an/an/an/an/a



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 (2009)


BindingDB Entry DOI: 10.7270/Q26W98HW
More data for this
Ligand-Target Pair