BDBM50661969 CHEMBL6148605

SMILES CN(CC#C)Cc1ccc(cc1)Cn2c3c(c(ncn3)Sc4nc5ccccc5o4)nn2

InChI Key InChIKey=BQRUEJOUZILBFB-UHFFFAOYSA-N

Data  8 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50661969   

TargetCytochrome b-245 heavy chain(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661969BDBM50661969(CHEMBL6148605)
Affinity DataIC50: 135nMAssay Description:Inhibition of human NOX2 extracted from PLB-985 cell membrane incubated for 1 hr in presence of PMA by cytochrome c reduction assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetCytochrome b-245 heavy chain(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661969BDBM50661969(CHEMBL6148605)
Affinity DataIC50: 155nMAssay Description:Inhibition of human NOX2 incubated for 1 hr in presence of NADPH by UV-vis spectrophotometer analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661969BDBM50661969(CHEMBL6148605)
Affinity DataIC50: 182nMAssay Description:Inhibition of human MAOB using benzylamine as substrate incubated for 30 mins by horseradish peroxidase/amplex red staining based by UV/visible spect...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCytochrome b-245 heavy chain(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661969BDBM50661969(CHEMBL6148605)
Affinity DataIC50: 567nMAssay Description:Inhibition of human NOX2 extracted from PLB-985 cell membrane incubated for 1 hr in presence of NADPH by MCLA based UV-vis spectrophotometer analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetNADPH oxidase 5(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661969BDBM50661969(CHEMBL6148605)
Affinity DataIC50: 5.20E+3nMAssay Description:Inhibition of human NOX5 extracted from HEK293F cell membrane incubated for 1 hr in presence of NADPH by amplex red/horseradish peroxidase staining b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetNADPH oxidase 1(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661969BDBM50661969(CHEMBL6148605)
Affinity DataIC50: 2.20E+4nMAssay Description:Inhibition of human NOX1 extracted from HEK293F cell membrane incubated for 1 hr in presence of NADPH by amplex red/horseradish peroxidase staining b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetNADPH oxidase 4(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661969BDBM50661969(CHEMBL6148605)
Affinity DataIC50: 4.20E+4nMAssay Description:Inhibition of human NOX4 extracted from HEK293F cell membrane incubated for 1 hr in presence of NADPH by amplex red/horseradish peroxidase staining b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50661969BDBM50661969(CHEMBL6148605)
Affinity DataIC50: 5.90E+4nMAssay Description:Inhibition of human MAOA using kynuramine as substrate incubated for 30 mins by horseradish peroxidase/amplex red staining based by UV/visible spectr...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In Depth
Date in BDB:
6/5/2026
Entry Details
PubMed