BDBM50005566 CHEMBL139018::CHEMBL3234588

SMILES c1ccc2c(c1)c(c3c(n2)CCCC3)NCCCCc4ccc(c(n4)/C=N/O)O

InChI Key InChIKey=WBLSVMZKFSZDDW-UHFFFAOYSA-N

Data  2 IC50  4 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50005566   

TargetAcetylcholinesterase(Human)
Universite Grenoble Alpes

Curated by ChEMBL
LigandPNGBDBM50005566(CHEMBL139018 | CHEMBL3234588)
Affinity DataIC50: 250nMAssay Description:Inhibition of human recombinant AChE by spectrophotometry based Ellman's assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Universite Grenoble Alpes

Curated by ChEMBL
LigandPNGBDBM50005566(CHEMBL139018 | CHEMBL3234588)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of recombinant human AChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Universite Grenoble Alpes

Curated by ChEMBL
LigandPNGBDBM50005566(CHEMBL139018 | CHEMBL3234588)
Affinity DataKd:  3.60E+3nMAssay Description:Reactivation of paraoxon-inhibited recombinant human AChE measured up to 10 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Universite Grenoble Alpes

Curated by ChEMBL
LigandPNGBDBM50005566(CHEMBL139018 | CHEMBL3234588)
Affinity DataKd:  7.10E+3nMAssay Description:Reactivation of tabun-inhibited recombinant human AChE measured up to 10 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Universite Grenoble Alpes

Curated by ChEMBL
LigandPNGBDBM50005566(CHEMBL139018 | CHEMBL3234588)
Affinity DataKd:  2.00E+4nMAssay Description:Reactivation of NIMP-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Universite Grenoble Alpes

Curated by ChEMBL
LigandPNGBDBM50005566(CHEMBL139018 | CHEMBL3234588)
Affinity DataKd:  3.10E+4nMAssay Description:Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMed