BDBM50458458 CHEMBL4210729

SMILES COc1ccc(Cn2cc(C(=O)NCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1

InChI Key InChIKey=MXLDMFKZOSQDCE-UHFFFAOYSA-N

Data  2 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50458458   

TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50458458(CHEMBL4210729)
Affinity DataKi:  1.60nMAssay Description:Mixed type inhibition of human erythrocyte AChE assessed as enzyme-substrate-inhibitor complex using varying levels of acetylthiocholine iodide as su...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50458458(CHEMBL4210729)
Affinity DataKi:  3.30nMAssay Description:Mixed type inhibition of human erythrocyte AChE assessed as enzyme-inhibitor complex using varying levels of acetylthiocholine iodide as substrate pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50458458(CHEMBL4210729)
Affinity DataIC50: 42nMAssay Description:Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50458458(CHEMBL4210729)
Affinity DataIC50: 3.72E+3nMAssay Description:Inhibition of human plasmatic BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50458458(CHEMBL4210729)
Affinity DataIC50: 4.01E+3nMAssay Description:Antagonist activity at human M1 mAChR expressed in CHO cells assessed as inhibition of oxotremorine M-stimulated calcium influx preincubated for 10 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed