BDBM772 Benzamidine::CHEMBL79897::[amino(phenyl)methylidene]azanium::benzamidine deriv.::benzamidinium chloride

SMILES NC(=[NH2+])c1ccccc1

InChI Key InChIKey=PXXJHWLDUBFPOL-UHFFFAOYSA-O

Data  16 KI  1 IC50  4 ITC

PDB links: 40 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 772   

TargetSerine protease 1(Bos taurus (bovine))
Axys Pharmaceuticals

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  4.80E+3nM ΔG°:  -7.18kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
TargetUrokinase-type plasminogen activator(Homo sapiens (Human))
Axys Pharmaceuticals

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  5.00E+3nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
TargetTryptase beta-2(Homo sapiens (Human))
Axys Pharmaceutical

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  2.00E+4nM ΔG°:  -6.34kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Bos taurus (bovine))
Axys Pharmaceuticals

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  2.10E+4nM ΔG°:  -6.31kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Axys Pharmaceuticals

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  2.90E+4nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
Axys Pharmaceuticals

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  3.90E+4nM ΔG°:  -6.01kcal/molepH: 8.0 T: 2°CAssay Description:The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...More data for this Ligand-Target Pair
TargetUrokinase-type plasminogen activator(Homo sapiens (Human))
Axys Pharmaceuticals

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  9.50E+4nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
TargetUrokinase-type plasminogen activator(Homo sapiens (Human))
Axys Pharmaceuticals

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  9.70E+4nM ΔG°:  -5.42kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
TargetCoagulation factor X(Homo sapiens (Human))
Axys Pharmaceutical

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  1.10E+5nM ΔG°:  -5.34kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Axys Pharmaceutical

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  1.65E+5nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetUrokinase-type plasminogen activator(Homo sapiens (Human))
Axys Pharmaceuticals

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  1.80E+5nM ΔG°:  -5.11kcal/molepH: 8.0 T: 2°CAssay Description:The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...More data for this Ligand-Target Pair
TargetProthrombin(Homo sapiens (Human))
Axys Pharmaceuticals

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  3.20E+5nM ΔG°:  -4.72kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  3.80E+5nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
TargetComplement C1s subcomponent(Homo sapiens (Human))
Michigan State University

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  6.03E+5nM ΔG°:  -4.40kcal/molepH: 8.05 T: 2°CAssay Description:All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTissue-type plasminogen activator(Homo sapiens (Human))
Axys Pharmaceutical

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi:  7.50E+5nM ΔG°:  -4.22kcal/molepH: 7.4 T: 2°CAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetTissue-type plasminogen activator(Homo sapiens (Human))
Axys Pharmaceutical

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataKi: >1.00E+6nM ΔG°: >-4.09kcal/molepH: 8.0 T: 2°CAssay Description:The measurements were carried out on a microplate reader. Two concentrations of the substrate and five concentrations of the inhibitor were used in t...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedMMDB

TargetProthrombin(Homo sapiens (Human))
Axys Pharmaceuticals

LigandPNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
Affinity DataIC50:  4.40E+5nMpH: 8.0 T: 2°CAssay Description:The cleavage of the substrate was followed by monitoring the change in fluorescence at 460 nm (excitation at 365 nm) for 25 min at room temperature o...More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 4 hits for monomerid = 772   

CellTrypsin(Bos taurus (bovine))
University Of Groningen

SyringePNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
ITC DataΔG°: -6.42kcal/mole −TΔS°: -2.37kcal/mole ΔH°: -4.06kcal/mole logk: 6.20E+4
pH: 8.0 T: 20.10°C 
CellTrypsin(Bos taurus (bovine))
University Of Groningen

SyringePNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
ITC DataΔG°: -6.38kcal/mole −TΔS°: -1.29kcal/mole ΔH°: -5.11kcal/mole logk: 4.10E+4
pH: 8.0 T: 30.00°C 
CellTrypsin(Bos taurus (bovine))
University Of Groningen

SyringePNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
ITC DataΔG°: -6.38kcal/mole −TΔS°: -0.719kcal/mole ΔH°: -5.66kcal/mole logk: 3.10E+4
pH: 8.0 T: 37.10°C 
CellTrypsin(Bos taurus (bovine))
University Of Groningen

SyringePNGBDBM772(Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...)
ITC DataΔG°: -6.35kcal/mole −TΔS°: -1.84kcal/mole ΔH°: -4.51kcal/mole logk: 4.50E+4
pH: 8.0 T: 25.10°C