BDBM50380543 CHEMBL2019040

SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)NCCCCCCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key InChIKey=QDCAJVSXNYAGPD-UHFFFAOYSA-N

Data  1 KI  5 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50380543   

TargetBeta-secretase 1(Human)
IQM-CSIC

Curated by ChEMBL
LigandPNGBDBM50380543(CHEMBL2019040)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of human recombinant BChE using panvera peptide as substrate preincubated for 60 mins before substrate addition by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
IQM-CSIC

Curated by ChEMBL
LigandPNGBDBM50380543(CHEMBL2019040)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of human erythrocytes AChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCholinesterase(Horse)
IQM-CSIC

Curated by ChEMBL
LigandPNGBDBM50380543(CHEMBL2019040)
Affinity DataIC50: 0.550nMAssay Description:Inhibition of horse serum BChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Bovine)
IQM-CSIC

Curated by ChEMBL
LigandPNGBDBM50380543(CHEMBL2019040)
Affinity DataIC50: 85nMAssay Description:Inhibition of bovine erythrocytes AChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCholinesterase(Human)
IQM-CSIC

Curated by ChEMBL
LigandPNGBDBM50380543(CHEMBL2019040)
Affinity DataIC50: 15nMAssay Description:Inhibition of human serum BChE by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetBeta-secretase 1(Human)
IQM-CSIC

Curated by ChEMBL
LigandPNGBDBM50380543(CHEMBL2019040)
Affinity DataKi:  880nMAssay Description:Competitive inhibition of human recombinant BChE using panvera peptide as substrate preincubated for 60 mins before substrate addition by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed