BDBM50260311 CHEMBL4085722

SMILES COc1cc(CN2CCC(CN3CCc4cc(OC)c(OC)cc4C3)CC2)c(O)c(\C=N\O)c1

InChI Key InChIKey=QTQLBIWUKYHKCU-MZJWZYIUSA-N

Data  1 IC50  2 Kd

  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 3 hits for monomerid = 50260311   

TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50260311(CHEMBL4085722)
Affinity DataIC50:  8.48E+5nMAssay Description:Inhibition of human AChE using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured every 5 mins for 20 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50260311(CHEMBL4085722)
Affinity DataKd:  5.10E+4nMAssay Description:Reactivation of sarin-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50260311(CHEMBL4085722)
Affinity DataKd:  5.12E+5nMAssay Description:Inhibition of human AChE using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured every 5 mins for 20 mi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed