BDBM211812 US9290459, 29::US9475779, D.1A

SMILES CN1[C@@H](C2=C(CCC2=O)N(C1=O)c1ccnc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N

InChI Key InChIKey=CTAOATNVUQNVBF-UHFFFAOYSA-N

Data  4 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 211812   

TargetNeutrophil elastase(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM211812(US9475779, D.1A | US9290459, 29)
Affinity DataEC50:  1nMpH: 7.5Assay Description:Various concentrations of the neutrophil elastase inhibitor are incubated with plasma. Subsequently, the enzyme activity is measured using the fluoro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2017
Entry Details
US Patent

TargetNeutrophil elastase(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM211812(US9475779, D.1A | US9290459, 29)
Affinity DataIC50: 2.60nMpH: 7.5 T: 2°CAssay Description:The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/25/2017
Entry Details
US Patent

TargetNeutrophil elastase(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM211812(US9475779, D.1A | US9290459, 29)
Affinity DataIC50: 4.20nMpH: 7.5 T: 2°CAssay Description:Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2017
Entry Details
US Patent

TargetNeutrophil elastase(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM211812(US9475779, D.1A | US9290459, 29)
Affinity DataIC50: 19nMpH: 7.5 T: 2°CAssay Description:The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/25/2017
Entry Details
US Patent

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM211812(US9475779, D.1A | US9290459, 29)
Affinity DataIC50: 3.00E+4nMAssay Description:The inhibition of the hERG (human ether-a-go-go-related gene) potassium channel can be determined as described in Rast, G., & Guth, B. D., Journal of...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/25/2017
Entry Details
US Patent