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BDBM50239371 Atnaa::CHEBI:8354::Duodote::PRALIDOXIME::Pralidoxime

SMILES: C[n+]1ccccc1C=NO

InChI Key: InChIKey=JBKPUQTUERUYQE-UHFFFAOYSA-O

Data: 1 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50239371   
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
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50239371
PNG
(Atnaa | CHEBI:8354 | Duodote | PRALIDOXIME | Prali...)
Show SMILES C[n+]1ccccc1C=NO
Show InChI InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.40E+5n/an/an/an/an/a



Kazan Scientific Center of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Reactivation of POX-inhibited human recombinant AChE assessed as dissociation rate constant using ATC as substrate incubated for 60 mins followed by ...


Eur J Med Chem 185: (2020)


Article DOI: 10.1016/j.ejmech.2019.111787
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50239371
PNG
(Atnaa | CHEBI:8354 | Duodote | PRALIDOXIME | Prali...)
Show SMILES C[n+]1ccccc1C=NO
Show InChI InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...


Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair