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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
40
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Target
Coagulation factor X
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: 0.150nM
Assay Description:
Inhibition of human factor 10a
More data for this Ligand-Target Pair
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Target
Coagulation factor X
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: 0.150nM
Assay Description:
Binding affinity to human FXa assessed as inhibition constant
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Target
Coagulation factor X
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 0.150nM ΔG°: -55.5kJ/mole
pH: 7.0 T: 2°C
Assay Description:
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...
More data for this Ligand-Target Pair
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Target
Coagulation factor X
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 0.150nM
Assay Description:
Inhibition of factor 10a
More data for this Ligand-Target Pair
Target Info
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Target
Coagulation factor X
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 0.150nM
Assay Description:
Tested in vitro for inhibition of human Coagulation factor X
More data for this Ligand-Target Pair
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Target
Coagulation factor X
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
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Affinity Data
Ki: 0.300nM
Assay Description:
In vitro activity against rabbit factor Xa
More data for this Ligand-Target Pair
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Target
Coagulation factor X
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
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Affinity Data
Ki: 0.300nM
Assay Description:
Tested in vitro for inhibition of rabbit Coagulation factor X
More data for this Ligand-Target Pair
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Target
Coagulation factor X
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
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Affinity Data
Ki: 0.300nM ΔG°: -53.8kJ/mole
pH: 7.0 T: 2°C
Assay Description:
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...
More data for this Ligand-Target Pair
Target Info
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Target
Serine protease 1
(Bos taurus (bovine))
Bristol-Myers Squibb Pharmaceutical Research Institute
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: 60nM
Assay Description:
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...
More data for this Ligand-Target Pair
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Target
Serine protease 1/Trypsin-2
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: 60nM
Assay Description:
In vitro activity against human trypsin.
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Target
Serine protease 1
(Homo sapiens (Human))
Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: 60nM
Assay Description:
Tested in vitro for inhibition of human trypsin
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Target
Plasma kallikrein
(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
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Affinity Data
Ki: 61nM
Assay Description:
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...
More data for this Ligand-Target Pair
Target Info
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Target
Plasma kallikrein
(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: 61nM
Assay Description:
In vitro activity against human Plasma kallikrein.
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Target
Plasma kallikrein
(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
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Affinity Data
Ki: 61nM
Assay Description:
Tested in vitro for inhibition of human plasma Kallikriene
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Target
Coagulation factor X
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
Copy InChI
Affinity Data
Ki: 150nM
Assay Description:
Binding affinity against human coagulation factor X
More data for this Ligand-Target Pair
Target Info
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Target
Vitamin K-dependent protein C
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: 1.80E+3nM
Assay Description:
In vitro activity against human Activated protein C
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Target
Vitamin K-dependent protein C
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
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Affinity Data
Ki: 1.80E+3nM
Assay Description:
Tested in vitro for inhibition of human activated protein C
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Target
Coagulation factor IX
(Homo sapiens (Human))
Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: 2.20E+3nM
Assay Description:
Tested in vitro for inhibition of human Coagulation factor IX
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Target
Coagulation factor IX
(Homo sapiens (Human))
Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
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Affinity Data
Ki: 2.20E+3nM
Assay Description:
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...
More data for this Ligand-Target Pair
Target Info
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Target
Coagulation factor IX
(Homo sapiens (Human))
Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: 2.20E+3nM
Assay Description:
In vitro activity against human factor IXa
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Target
Prothrombin
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: 6.00E+3nM
Assay Description:
In vitro activity against human thrombin.
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Target
Prothrombin
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: 6.00E+3nM
Assay Description:
Inhibition of human factor 2a
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Target
Prothrombin
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
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Affinity Data
Ki: 6.00E+3nM
Assay Description:
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...
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Target
Prothrombin
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
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Affinity Data
Ki: 6.00E+3nM
Assay Description:
Inhibition of thrombin
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Target
Prothrombin
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
Copy SMILES
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Affinity Data
Ki: 6.00E+3nM
Assay Description:
In vitro for inhibition of human thrombin
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Target
Coagulation factor VII
(Homo sapiens (Human))
Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: >1.50E+4nM
Assay Description:
Tested in vitro for inhibition of human Coagulation factor VII
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Target
Coagulation factor VII
(Homo sapiens (Human))
Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: >1.50E+4nM
Assay Description:
Ki values were obtained from human purified enzyme. All assays were run in microtiter plates. Plates were read for 30 min at 405 nm. Rates were deter...
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Target
Coagulation factor VII
(Homo sapiens (Human))
Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: >1.50E+4nM
Assay Description:
The compound was tested for inhibition of human coagulation factor VII
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Target
Chymotrypsinogen B
(Homo sapiens (Human))
Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: >1.70E+4nM
Assay Description:
Tested in vitro for inhibition of human Chymotrypsinogen
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Target
Chymotrypsinogen B
(Homo sapiens (Human))
Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: >1.70E+4nM
Assay Description:
In vitro activity against human Chymotrypsinogen B1
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Target
Urokinase-type plasminogen activator
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: >1.90E+4nM
Assay Description:
In vitro activity against human urokinase
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Target
Urokinase-type plasminogen activator
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: >1.90E+4nM
Assay Description:
Tested in vitro for inhibition of human Urokinase-type plasminogen activator
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Target
Plasminogen
(Homo sapiens (Human))
Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: >3.50E+4nM
Assay Description:
Tested in vitro for inhibition of human plasmin
More data for this Ligand-Target Pair
Target Info
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Copy BDB DOI
Target
Plasminogen
(Homo sapiens (Human))
Pharmaceutical Research Institute
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: >3.50E+4nM
Assay Description:
In vitro activity against human plasmin
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
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KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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Ligand Info
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CHEMBL
MMDB
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Article
PubMed
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Target
Tissue-type plasminogen activator
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: >4.50E+4nM
Assay Description:
In vitro activity against human tissue plasminogen activator
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
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KEGG
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DrugBank
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CHEMBL
MMDB
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Copy BDB DOI
Target
Tissue-type plasminogen activator
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
Ki: >4.50E+4nM
Assay Description:
Tested in vitro for inhibition of human Tissue type plasminogen activator
More data for this Ligand-Target Pair
Target Info
PDB
MMDB
NCI pathway
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KEGG
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DrugBank
antibodypedia
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Target
Coagulation factor X
(Homo sapiens (Human))
Bristol-Myers Squibb
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
IC50: 2.40nM
Assay Description:
Inhibition of human factor 10a using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader
More data for this Ligand-Target Pair
Target Info
PDB
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MMDB
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MMDB
PDB
3D Structure (crystal)
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Target
Complement factor H
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
IC50: 4.40E+4nM
Assay Description:
In vitro activity against human Complement factor I
More data for this Ligand-Target Pair
Target Info
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Target
Prothrombin
(Homo sapiens (Human))
Dupont Pharmaceuticals
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
IC50: >1.00E+5nM
Assay Description:
Inhibition of human Thrombin using S-2222 chromogenic substrate assessed as hydrolysis by microplate reader
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Target Info
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Target
Trypsin
(Homo sapiens (Human))
Astellas Pharma
Curated by
ChEMBL
Ligand
BDBM12657
(1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsul...)
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Affinity Data
IC50: >1.00E+5nM
Assay Description:
Inhibition of human Trypsin using S-2238 chromogenic substrate assessed as hydrolysis by microplate reader
More data for this Ligand-Target Pair
Target Info
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
Ligand Info
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CHEMBL
MMDB
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PC sid
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In Depth
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Article
PubMed
Copy BDB DOI