BDBM50444728 CHEMBL3098990

SMILES COc1ccccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1

InChI Key InChIKey=KVOKJFRUAUXLHL-UHFFFAOYSA-N

Data  2 KI  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50444728   

TargetLethal factor(Bacillus anthracis)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM50444728(CHEMBL3098990)
Affinity DataKi:  478nMAssay Description:Non-competitive inhibition of Bacillus anthracis lethal factor using 3.12 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee pl...More 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
LigandPNGBDBM50444728(CHEMBL3098990)
Affinity DataIC50: 729nMAssay Description:Non-competitive inhibition of Bacillus anthracis lethal factor using 6.25 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee pl...More 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
LigandPNGBDBM50444728(CHEMBL3098990)
Affinity DataIC50: 841nMAssay Description:Non-competitive inhibition of Bacillus anthracis lethal factor using 12.5 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee pl...More 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
LigandPNGBDBM50444728(CHEMBL3098990)
Affinity DataIC50: 952nMAssay Description:Non-competitive inhibition of Bacillus anthracis lethal factor using 25 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plot...More 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
LigandPNGBDBM50444728(CHEMBL3098990)
Affinity DataIC50: 1.10E+3nMAssay Description:Non-competitive inhibition of Bacillus anthracis lethal factor using 50 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plot...More 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
LigandPNGBDBM50444728(CHEMBL3098990)
Affinity DataIC50: 1.22E+3nMAssay Description:Non-competitive inhibition of Bacillus anthracis lethal factor using 100 uM MCA-KKVYPYPME[dnp]K amide as substrate after 30 mins by Eadie-Hofstee plo...More 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
LigandPNGBDBM50444728(CHEMBL3098990)
Affinity DataKi:  2.88E+3nMAssay Description:Non-competitive inhibition of Bacillus anthracis lethal factor assessed as MCA-KKVYPYPME[dnp]K amide cleavage after 30 mins by Eadie-Hofstee plot ana...More 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
LigandPNGBDBM50444728(CHEMBL3098990)
Affinity DataIC50: 3.00E+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
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM50444728(CHEMBL3098990)
Affinity DataIC50: 1.00E+5nMAssay 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