BDBM17295 BIBT0871::ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-1,3-benzodiazol-5-yl)cyclopropyl](pyridin-2-yl)methylidene}amino]oxy}acetate

SMILES [H]/N=C(/c1ccc(cc1)NCc2nc3cc(ccc3n2C)C4(CC4)/C(=N\OCC(=O)OCC)/c5ccccn5)\N

InChI Key InChIKey=RNOYCNIZOAIUSV-UHFFFAOYSA-N

Data  8 KI

PDB links: 3 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 17295   

TargetCoagulation factor X(Human)
Boehringer Ingelheim Pharma

LigandPNGBDBM17295(ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoylphenyl)amin...)
Affinity DataKi:  57nM ΔG°:  -10.3kcal/molepH: 8.0 T: 2°CAssay Description:For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSerine protease 1(Bovine)
Boehringer Ingelheim Pharma

LigandPNGBDBM17295(ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoylphenyl)amin...)
Affinity DataKi:  110nM ΔG°:  -9.87kcal/molepH: 8.0 T: 2°CAssay Description:For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2007
Entry Details Article
PubMed
TargetProthrombin(Human)
Boehringer Ingelheim Pharma

LigandPNGBDBM17295(ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoylphenyl)amin...)
Affinity DataKi:  140nM ΔG°:  -9.72kcal/molepH: 8.0 T: 2°CAssay Description:For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPlasminogen(Human)
Boehringer Ingelheim Pharma

LigandPNGBDBM17295(ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoylphenyl)amin...)
Affinity DataKi:  6.80E+3nM ΔG°:  -7.33kcal/molepH: 8.0 T: 2°CAssay Description:For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2007
Entry Details Article
PubMed
TargetCoagulation factor XI(Human)
Boehringer Ingelheim Pharma

LigandPNGBDBM17295(ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoylphenyl)amin...)
Affinity DataKi:  9.00E+3nM ΔG°:  -7.16kcal/molepH: 8.0 T: 2°CAssay Description:For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2007
Entry Details Article
PubMed
TargetCoagulation factor VII(Human)
Boehringer Ingelheim Pharma

LigandPNGBDBM17295(ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoylphenyl)amin...)
Affinity DataKi: >4.00E+4nM ΔG°: >-6.24kcal/molepH: 8.0 T: 2°CAssay Description:For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2007
Entry Details Article
PubMed
TargetUrokinase-type plasminogen activator(Human)
Boehringer Ingelheim Pharma

LigandPNGBDBM17295(ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoylphenyl)amin...)
Affinity DataKi:  4.40E+4nM ΔG°:  -6.18kcal/molepH: 8.0 T: 2°CAssay Description:For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2007
Entry Details Article
PubMed
TargetTissue-type plasminogen activator(Human)
Boehringer Ingelheim Pharma

LigandPNGBDBM17295(ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoylphenyl)amin...)
Affinity DataKi: >5.00E+4nM ΔG°: >-6.10kcal/molepH: 8.0 T: 2°CAssay Description:For determination of the inhibition constants (Ki), enzyme inhibition was studied at three different substrate concentrations and seven different con...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2007
Entry Details Article
PubMed