BDBM50257750 CHEMBL494325::N-allyl-6-bromoquinazolin-4-amine::SMER28 (2)::cid_1560402

SMILES C=CCNc1c2cc(ccc2ncn1)Br

InChI Key InChIKey=BCPOLXUSCUFDGE-UHFFFAOYSA-N

Data  3 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50257750   

TargetAcyl-homoserine lactone acylase PvdQ(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Helmholtz Institute For Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50257750BDBM50257750(SMER28 (2) | cid_1560402 | CHEMBL494325 | N-allyl-...)
Affinity DataIC50: 20nMAssay Description:Inhibition of Pseudomonas aeruginosa ATCC 15692 pvdQ incubated for 4 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetHuntingtin(Human)
Columbia University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50257750BDBM50257750(SMER28 (2) | cid_1560402 | CHEMBL494325 | N-allyl-...)
Affinity DataEC50:  5.00E+4nMAssay Description:Inhibition of Huntingtin protein aggregation by yeast based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetHuntingtin(Human)
Columbia University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50257750BDBM50257750(SMER28 (2) | cid_1560402 | CHEMBL494325 | N-allyl-...)
Affinity DataEC50: >5.00E+4nMAssay Description:Inhibition of mutant HTT (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetAcyl-homoserine lactone acylase PvdQ [A190E,F674L](Pseudomonas aeruginosa)
The Broad Institute , Cambridge, Massachusetts 02142, United States

LigandChemical structure of BindingDB Monomer ID 50257750BDBM50257750(SMER28 (2) | cid_1560402 | CHEMBL494325 | N-allyl-...)
Affinity DataIC50: 6.50E+4nMAssay Description:The assay was performed with nine compound concentrations that ranged from 3 nM to 19.5 µM with PvdQ concentration of 20 nM. The positive contro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/7/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcyl-homoserine lactone acylase PvdQ(Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)
Helmholtz Institute For Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50257750BDBM50257750(SMER28 (2) | cid_1560402 | CHEMBL494325 | N-allyl-...)
Affinity DataIC50: 1.30E+5nMAssay Description:Inhibition of Pseudomonas aeruginosa ATCC 15692 pvdQMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)