BDBM50120437 CHEMBL3617973

SMILES CN1[C@@H](C(C#N)=C(C)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N

InChI Key InChIKey=YAJWYFPMASPAMM-UHFFFAOYSA-N

Data  2 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50120437   

TargetNeutrophil elastase(Human)
The Scripps Research Institute

US Patent
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 0.0310nMAssay Description:Serially diluted compounds in DMSO were dispensed into a 384-well black opaque plate by Echo dispenser. 0.1 μg/mL human neutrophil elastase (EPC, Cat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2025
Entry Details
US Patent

TargetNeutrophil elastase(Human)
The Scripps Research Institute

US Patent
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 0.0650nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMed
TargetNeutrophil elastase(Human)
The Scripps Research Institute

US Patent
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 0.0650nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
The Scripps Research Institute

US Patent
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 0.0650nMAssay Description:Inhibition of human neutrophil elastase using MeOSuc-AAPV-AMC as substrate measured after 60 mins by fluorescence methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
The Scripps Research Institute

US Patent
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 0.0650nMAssay Description:Inhibition of human neutrophil elastase using MeOSuc-AAPV-MCA as substrate measured at 60 mins interval for up to several hrs by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetNeutrophil elastase(Human)
The Scripps Research Institute

US Patent
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataKi:  0.0800nMAssay Description:Inhibition of human Neutrophil elastaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
The Scripps Research Institute

US Patent
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataKi:  0.0800nMAssay Description:Inhibition of human neutrophil elastase using MeOSuc-AAPV-AMC as substrate after 60 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2016
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
The Scripps Research Institute

US Patent
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataKi:  0.0800nMAssay Description:Competitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-MCA as substrate measured at 60 mins interval for up to sever...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetNeutrophil elastase(Mouse)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataKi:  6nMAssay Description:Competitive inhibition of mouse neutrophil elastase using varying levels of MeOSuc-AAPV-MCA as substrate measured at 60 mins interval for up to sever...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetNeutrophil elastase(Human)
The Scripps Research Institute

US Patent
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 140nMAssay Description:Inhibition of human neutrophil elastase using MeOSuc-AAPV-MCA as substrate measured at 60 mins interval for up to several hrs in presence of hydrogen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetProlyl endopeptidase FAP(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of FAP (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetUrokinase-type plasminogen activator(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of urokinase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetKallikrein-4(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of kallikrein-4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetKallikrein-1(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of kallikrein-1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetKallikrein-7(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of kallikrein-7 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetKallikrein-5(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of kallikrein-5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlasma kallikrein(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of kallikrein-B1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetKallikrein-12(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of kallikrein-12 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCoagulation factor X(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of FXa (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetProthrombin(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCoagulation factor IX(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of FIXa (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetChymotrypsinogen B2(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of chymotrypsin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCoagulation factor VII(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of FVIIa (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCathepsin G(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of cathepsin G (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlasminogen(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of plasmin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetChymase(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of chymase (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetCoagulation factor XI(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of FXIa (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of trypsin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetDipeptidyl peptidase 4(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of DPP4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetDipeptidyl peptidase 2(Human)
Bayer HealthCare AG

Curated by ChEMBL
LigandPNGBDBM50120437(CHEMBL3617973 | US12415819, Compound 54)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of DPP2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed