BDBM50659387 CHEMBL6149620

SMILES COc1cc(/C=C/C(=O)Nc2ccc3sc(NCN4C(=O)CSC4=O)nc3c2)ccc1O

InChI Key InChIKey=JWIPYSWKJTZWIL-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50659387   

TargetAmine oxidase [flavin-containing] B(Human)
COMSATS University Islamabad

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50659387BDBM50659387(CHEMBL6149620)
Affinity DataIC50: 24nMAssay Description:Inhibition of human MAO-B using tyramine/benzylamine as substrate measured after 30 mins by fluorometric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAcetylcholinesterase(Electric eel)
COMSATS University Islamabad

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50659387BDBM50659387(CHEMBL6149620)
Affinity DataIC50: 72nMAssay Description:Inhibition of Electric eel AChE using acetylthiocholine iodide as substrate pre-incubated for 10 mins followed by substrate addition and measured aft...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
COMSATS University Islamabad

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50659387BDBM50659387(CHEMBL6149620)
Affinity DataIC50: 180nMAssay Description:Inhibition of 5-LOX (unknown origin) using linoleic acid as substrate incubated for 5 mins followed by substrate additionMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetProstaglandin G/H synthase 2(Human)
COMSATS University Islamabad

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50659387BDBM50659387(CHEMBL6149620)
Affinity DataIC50: 187nMAssay Description:Inhibition of COX-2 (unknown origin) using arachidonic acid as substrate and in presence of TMPD preincubated for 5 mins followed by substrate additi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetBeta-secretase 1(Human)
COMSATS University Islamabad

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50659387BDBM50659387(CHEMBL6149620)
Affinity DataIC50: 2.42E+3nMAssay Description:Inhibition of BACE-1 (unknown origin) 667-676- (2, 4-dinitrophenyl) Lys-Arg-Arg amide trifluoroacetate as substrate preincubated for 15 mins followed...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCholinesterase(Horse)
COMSATS University Islamabad

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50659387BDBM50659387(CHEMBL6149620)
Affinity DataIC50: 9.81E+3nMAssay Description:Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate pre-incubated for 10 mins followed by substrate addition and measured a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
COMSATS University Islamabad

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50659387BDBM50659387(CHEMBL6149620)
Affinity DataIC50: 1.45E+4nMAssay Description:Inhibition of human MAO-A using tyramine/benzylamine as substrate measured after 30 mins by fluorometric assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetProstaglandin G/H synthase 1(Human)
COMSATS University Islamabad

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50659387BDBM50659387(CHEMBL6149620)
Affinity DataIC50: 6.04E+4nMAssay Description:Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate and in presence of TMPD preincubated for 5 mins followed by substrate additi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed