BDBM50381952 CHEMBL2022933

SMILES Nc1c2CN(CC#C)CCc2nc2nc(N3CCCC3)c(cc12)C#N

InChI Key InChIKey=MMPJDGQUUIZMGJ-UHFFFAOYSA-N

Data  1 KI  6 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 7 hits for monomerid = 50381952   

TargetAcetylcholinesterase(Human)
Laboratorio De Radicales Libres Y Qu�Mica Computacional (Iqog, Csic)

Curated by ChEMBL
LigandPNGBDBM50381952(CHEMBL2022933)
Affinity DataIC50: 650nMAssay Description:Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCholinesterase(Human)
Laboratorio De Radicales Libres Y Qu�Mica Computacional (Iqog, Csic)

Curated by ChEMBL
LigandPNGBDBM50381952(CHEMBL2022933)
Affinity DataIC50: 8.20E+4nMAssay Description:Inhibition of human serum BuChE using butyrylthiocholine iodide as substrate by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Laboratorio De Radicales Libres Y Qu�Mica Computacional (Iqog, Csic)

Curated by ChEMBL
LigandPNGBDBM50381952(CHEMBL2022933)
Affinity DataIC50: 25nMAssay Description:Inhibition of electric eel AChE using acetylthiocholine iodide as substrate after 15 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCarboxylic ester hydrolase(Horse)
Laboratorio De Radicales Libres Y Qu�Mica Computacional (Iqog, Csic)

Curated by ChEMBL
LigandPNGBDBM50381952(CHEMBL2022933)
Affinity DataIC50: 2.70E+4nMAssay Description:Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 15 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Rat)
Laboratorio De Radicales Libres Y Qu�Mica Computacional (Iqog, Csic)

Curated by ChEMBL
LigandPNGBDBM50381952(CHEMBL2022933)
Affinity DataIC50: 6.18E+5nMAssay Description:Inhibition of mitochondrial MAO-A in rat liver homogenates using [14C]-(5-hydroxy-triptamine) as substrate preincubated for 30 mins by liquid scintil...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Rat)
Laboratorio De Radicales Libres Y Qu�Mica Computacional (Iqog, Csic)

Curated by ChEMBL
LigandPNGBDBM50381952(CHEMBL2022933)
Affinity DataIC50: 3.57E+5nMAssay Description:Inhibition of mitochondrial MAO-B in rat liver homogenates using [14C]-phenylethylamine as substrate preincubated for 30 mins by liquid scintillation...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Laboratorio De Radicales Libres Y Qu�Mica Computacional (Iqog, Csic)

Curated by ChEMBL
LigandPNGBDBM50381952(CHEMBL2022933)
Affinity DataKi:  65nMAssay Description:Non-competitive inhibition of electric eel AChE using acetylthiocholine as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed