BDBM50444748 Aminoquinuride

SMILES Cc1cc(c2cc(ccc2n1)NC(=O)Nc3ccc4c(c3)c(cc(n4)C)N)N

InChI Key InChIKey=HOUSDILKOJMENG-UHFFFAOYSA-N

Data  1 KI  4 IC50  1 EC50

PDB links: 2 PDB IDs match this monomer.

  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 6 hits for monomerid = 50444748   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM50444748(Aminoquinuride)
Affinity DataIC50: 7.20E+3nMAssay Description:Inhibition of Clostridium bolulinum BoNT/A assessed as cleavage of MOCAc-Lys-Lys-Val-Tyr-Pro-Tyr-Pro-Met-Glu-Lys(Dnp)-NH2 after 40 mins by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetLethal factor(Bacillus anthracis)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM50444748(Aminoquinuride)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of Bacillus anthracis lethal factor assessed as MCA-KKVYPYPME[dnp]K amide cleavage after 30 mins by fluorescence plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetC5a anaphylatoxin chemotactic receptor 1(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50444748(Aminoquinuride)
Affinity DataIC50: 8.86E+3nMAssay Description:Ability to inhibit binding of radiolabeled C5a anaphylatoxin to intact membrane bound receptor from human neutrophils.More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/15/2019
Entry Details Article
PubMed
TargetMyeloperoxidase(Human)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50444748(Aminoquinuride)
Affinity DataEC50: <3.00E+3nMAssay Description:Compound was tested for the induction of nonspecific myeloperoxidase (MPO) releaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/15/2019
Entry Details Article
PubMed
LigandPNGBDBM50444748(Aminoquinuride)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of G-protein beta1gamma2 (unknown origin) by flow cytometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetLethal factor(Bacillus anthracis)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM50444748(Aminoquinuride)
Affinity DataKi:  500nMAssay Description:Competitive inhibition of Bacillus anthracis lethal factorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)