BDBM50100895 2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-carboximidamide::2-[4-(4-Carbamimidoyl-phenoxy)-phenyl]-1H-indole-6-carboxamidine::CHEMBL289577::NSC-240898

SMILES NC(=N)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=N)cc1

InChI Key InChIKey=OSSYTOVYXCAWPG-UHFFFAOYSA-N

Data  2 KI  7 IC50  2 Kd

  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 11 hits for monomerid = 50100895   

TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50100895(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Affinity DataIC50: 2.62E+3nMAssay Description:Inhibition of Clostridium botulinum recombinant BoNT/A light chain using N-terminal acetylated, C-terminal aminated SNAP-25 (187-203) as substrate by...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetProtein S100-B(Rat)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50100895(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Affinity DataKd:  6.00E+3nMAssay Description:Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by Nikolovska-Cleska analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetProtein S100-B(Rat)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50100895(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Affinity DataIC50: 6.66E+4nMAssay Description:Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by fluorescence polarization competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2017
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50100895(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of Clostridium botulinum neurotoxin A light chain by HPLC-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetSporulation kinase A(Bacillus subtilis (strain 168))
The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM50100895(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Affinity DataIC50: 3.10E+4nMAssay Description:Inhibition of KinA/Sp0F system two component system (TCS) from Bacillus subtilisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/26/2018
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50100895(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Affinity DataKd:  4.60E+3nMAssay Description:Binding affinity to Clostridium botulinum neurotoxin A light chain at 390 uM by isothermal titration assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50100895(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of Clostridium botulinum toxin BoNT/A light chain by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50100895(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of Clostridium botulinum toxin BoNT/A light chain by HPLC-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetLethal factor(Bacillus anthracis)
Microbiotix

Curated by ChEMBL
LigandPNGBDBM50100895(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of Bacillus anthracis anthrax lethal factor by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetProthrombin(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM50100895(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Affinity DataKi:  5.22E+3nMAssay Description:Competitive reversible inhibition of bovine thrombin using alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride as substrate after 15 to 40 mins ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetBotulinum neurotoxin type A(Clostridium botulinum)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM50100895(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
Affinity DataKi:  1.00E+4nMAssay Description:Inhibition of Clostridium botulinum neurotoxin A light chain by HPLC-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed