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BDBM80401 2-[(4-chlorobenzyl)-(2-pyridyl)amino]ethyl-trimethyl-ammonium;iodide::2-[(4-chlorophenyl)methyl-(2-pyridinyl)amino]ethyl-trimethylammonium;iodide::2-[(4-chlorophenyl)methyl-pyridin-2-yl-amino]ethyl-trimethyl-azanium;iodide::2-[(4-chlorophenyl)methyl-pyridin-2-ylamino]ethyl-trimethylazanium;iodide::MLS000556881::SMR000147998::cid_9551614::{2-[(4-Chloro-benzyl)-pyridin-2-yl-amino]-ethyl}-trimethyl-ammonium

SMILES: C[N+](C)(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1

InChI Key: InChIKey=CCYCJDYRWZROCX-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 = 80401   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens (Human))
BDBM80401
PNG
(2-[(4-chlorobenzyl)-(2-pyridyl)amino]ethyl-trimeth...)
Show SMILES C[N+](C)(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C17H23ClN3/c1-21(2,3)13-12-20(17-6-4-5-11-19-17)14-15-7-9-16(18)10-8-15/h4-11H,12-14H2,1-3H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.01E+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))
BDBM80401
PNG
(2-[(4-chlorobenzyl)-(2-pyridyl)amino]ethyl-trimeth...)
Show SMILES C[N+](C)(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1
Show InChI InChI=1S/C17H23ClN3/c1-21(2,3)13-12-20(17-6-4-5-11-19-17)14-15-7-9-16(18)10-8-15/h4-11H,12-14H2,1-3H3/q+1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.05E+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