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Compile Data Set for Download or QSAR
maximum 50k data
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
11
hits in this display
Target
Prothrombin
(Bos taurus (Bovine))
TBA
Curated by
ChEMBL
Ligand
BDBM50100895
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
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Affinity Data
Ki: 5.22E+3nM
Assay 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
Target Info
PDB
UniProtKB/SwissProt
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CHEMBL
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Target
Botulinum neurotoxin type A
(Clostridium botulinum)
National Cancer Institute At Frederick
Curated by
ChEMBL
Ligand
BDBM50100895
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
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Affinity Data
Ki: 1.00E+4nM
Assay Description:
Inhibition of Clostridium botulinum neurotoxin A light chain by HPLC-based assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
CHEMBL
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PC sid
PDB
Patents
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In Depth
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Article
PubMed
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Target
Botulinum neurotoxin type A
(Clostridium botulinum)
National Cancer Institute At Frederick
Curated by
ChEMBL
Ligand
BDBM50100895
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
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Affinity Data
IC50: 2.62E+3nM
Assay 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
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
CHEMBL
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PDB
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In Depth
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PubMed
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Target
Botulinum neurotoxin type A
(Clostridium botulinum)
National Cancer Institute At Frederick
Curated by
ChEMBL
Ligand
BDBM50100895
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
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Affinity Data
IC50: 3.00E+3nM
Assay Description:
Inhibition of Clostridium botulinum neurotoxin A light chain by HPLC-based assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
CHEMBL
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PC sid
PDB
Patents
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In Depth
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Article
PubMed
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Target
Botulinum neurotoxin type A
(Clostridium botulinum)
National Cancer Institute At Frederick
Curated by
ChEMBL
Ligand
BDBM50100895
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
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Affinity Data
IC50: 1.10E+4nM
Assay Description:
Inhibition of Clostridium botulinum toxin BoNT/A light chain by FRET assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
PDB
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In Depth
Details
Article
PubMed
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Target
Botulinum neurotoxin type A
(Clostridium botulinum)
National Cancer Institute At Frederick
Curated by
ChEMBL
Ligand
BDBM50100895
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
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Affinity Data
IC50: 1.70E+4nM
Assay Description:
Inhibition of Clostridium botulinum toxin BoNT/A light chain by HPLC-based assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
CHEMBL
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PC sid
PDB
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In Depth
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Article
PubMed
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Target
Sporulation kinase A
(Bacillus subtilis (strain 168))
The R. W. Johnson Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM50100895
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
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Affinity Data
IC50: 3.10E+4nM
Assay Description:
Inhibition of KinA/Sp0F system two component system (TCS) from Bacillus subtilis
More data for this Ligand-Target Pair
Target Info
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Article
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Target
Lethal factor
(Bacillus anthracis)
Microbiotix
Curated by
ChEMBL
Ligand
BDBM50100895
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
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Affinity Data
IC50: 3.50E+4nM
Assay Description:
Inhibition of Bacillus anthracis anthrax lethal factor by FRET assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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CHEMBL
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PC sid
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In Depth
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Article
PubMed
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Target
Protein S100-B
(Rattus norvegicus)
University Of Maryland
Curated by
ChEMBL
Ligand
BDBM50100895
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
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Affinity Data
IC50: 6.66E+4nM
Assay Description:
Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by fluorescence polarization competition assay
More data for this Ligand-Target Pair
Target Info
PDB
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GoogleScholar
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CHEMBL
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PDB
3D Structure (crystal)
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Target
Protein S100-B
(Rattus norvegicus)
University Of Maryland
Curated by
ChEMBL
Ligand
BDBM50100895
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
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Affinity Data
Kd: 6.00E+3nM
Assay Description:
Displacement of TAMRA-TRTK12 from recombinant rat calcium loaded S100-B by Nikolovska-Cleska analysis
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
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CHEMBL
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PC sid
PDB
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In Depth
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Article
PubMed
PDB
3D Structure (crystal)
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Target
Botulinum neurotoxin type A
(Clostridium botulinum)
National Cancer Institute At Frederick
Curated by
ChEMBL
Ligand
BDBM50100895
(2-(4-(4-carbamimidoylphenoxy)phenyl)-1H-indole-6-c...)
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Affinity Data
Kd: 4.60E+3nM
Assay Description:
Binding affinity to Clostridium botulinum neurotoxin A light chain at 390 uM by isothermal titration assay
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
Reactome pathway
UniProtKB/SwissProt
B.MOAD
GoogleScholar
Ligand Info
CHEMBL
PC cid
PC sid
PDB
Patents
Similars
In Depth
Details
Article
PubMed
Copy BDB DOI