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BDBM80562 1-methyl-N-phenyl-3-pyridin-1-iumcarboxamide;chloride::1-methyl-N-phenyl-pyridin-1-ium-3-carboxamide;chloride::1-methyl-N-phenylpyridin-1-ium-3-carboxamide;chloride::MLS001170859::SMR000588030::cid_16248065

SMILES: C[n+]1cccc(c1)C(=O)Nc1ccccc1

InChI Key: InChIKey=WKJOWJKORUBZMF-UHFFFAOYSA-O

Data: 5 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 5 hits for monomerid = 80562   
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
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80562
PNG
(1-methyl-N-phenyl-3-pyridin-1-iumcarboxamide;chlor...)
Show SMILES C[n+]1cccc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c1-15-9-5-6-11(10-15)13(16)14-12-7-3-2-4-8-12/h2-10H,1H3/p+1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.75E+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
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80562
PNG
(1-methyl-N-phenyl-3-pyridin-1-iumcarboxamide;chlor...)
Show SMILES C[n+]1cccc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c1-15-9-5-6-11(10-15)13(16)14-12-7-3-2-4-8-12/h2-10H,1H3/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 6.95E+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))
BDBM80562
PNG
(1-methyl-N-phenyl-3-pyridin-1-iumcarboxamide;chlor...)
Show SMILES C[n+]1cccc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c1-15-9-5-6-11(10-15)13(16)14-12-7-3-2-4-8-12/h2-10H,1H3/p+1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 2.86E+4n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80562
PNG
(1-methyl-N-phenyl-3-pyridin-1-iumcarboxamide;chlor...)
Show SMILES C[n+]1cccc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c1-15-9-5-6-11(10-15)13(16)14-12-7-3-2-4-8-12/h2-10H,1H3/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.96E+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/Q25H7DV5
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80562
PNG
(1-methyl-N-phenyl-3-pyridin-1-iumcarboxamide;chlor...)
Show SMILES C[n+]1cccc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c1-15-9-5-6-11(10-15)13(16)14-12-7-3-2-4-8-12/h2-10H,1H3/p+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.10E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2TX3CZM
More data for this
Ligand-Target Pair