BDBM50096251 CHEMBL3593652

SMILES COCCN(CC1CCN(Cc2nc3ccccc3s2)CC1)C(=O)c1cc([N+]([O-])=O)c2cccnc2c1O

InChI Key InChIKey=DEMUYLZJYKLKKF-UHFFFAOYSA-N

Data  4 KI  1 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 = 50096251   

TargetCholinesterase(Human)
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50096251(CHEMBL3593652)
Affinity DataIC50: 2.14E+3nMAssay Description:Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50096251(CHEMBL3593652)
Affinity DataKi:  4.10E+4nMAssay Description:Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50096251(CHEMBL3593652)
Affinity DataKi:  1.81E+5nMAssay Description:Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor comp...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50096251(CHEMBL3593652)
Affinity DataKi:  2.00E+5nMAssay Description:Mixed inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Z-Arg-Arg...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetCathepsin B(Human)
University of Ljubljana

Curated by ChEMBL
LigandPNGBDBM50096251(CHEMBL3593652)
Affinity DataKi:  1.81E+5nMAssay Description:Non-competitive inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed