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  4 KI  25 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 29 hits for monomerid = 50120437   

TargetDipeptidyl peptidase 4(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
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TargetPlasminogen(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
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TargetCoagulation factor XI(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
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TargetCoagulation factor IX(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
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TargetCoagulation factor VII(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
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TargetCoagulation factor X(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
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TargetProthrombin(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
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TargetPlasma kallikrein(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
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TargetKallikrein-12(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoUniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
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TargetKallikrein-7(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
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TargetKallikrein-5(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
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TargetKallikrein-4(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetKallikrein-1(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetProlyl endopeptidase FAP(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
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TargetUrokinase-type plasminogen activator(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetDipeptidyl peptidase 2(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetChymase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetPlatelet-derived growth factor receptor alpha/beta(Mouse)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetChymotrypsinogen B2(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetCathepsin G(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 3.00E+4nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetNeutrophil elastase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 140nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetNeutrophil elastase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 0.0650nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetNeutrophil elastase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 0.0650nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
4/19/2024
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetNeutrophil elastase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
3/26/2022
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetNeutrophil elastase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataIC50: 0.0650nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
8/18/2020
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetNeutrophil elastase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
12/3/2016
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetNeutrophil elastase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataKi:  0.0800nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetNeutrophil elastase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataKi:  0.0800nMAssay Description:Inhibition of human Neutrophil elastaseMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
2/25/2021
Entry Details Article
Copy Entry DOIPubMed
Copy Rxn URL

TargetNeutrophil elastase(Mouse)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120437(CHEMBL3617973)Copy SMILESCopy InChI

Affinity DataKi:  6nMMore data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL