BDBM50120426 CHEMBL3617968

SMILES CC1=C([C@H](NC(=O)N1c2cccc(c2)C(F)(F)F)c3ccc(nc3)C#N)C(=O)C

InChI Key InChIKey=PGIVGIFOWOVINL-UHFFFAOYSA-N

Data  3 KI  22 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50120426   

TargetProlyl endopeptidase FAP(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

TargetCoagulation factor X(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

TargetProthrombin(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoUniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

TargetKallikrein-7(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

TargetKallikrein-4(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

TargetUrokinase-type plasminogen activator(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

TargetChymase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

Affinity DataIC50: 20nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetNeutrophil elastase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

Affinity DataIC50: 15nMAssay Description:Inhibition of human neutrophil elastase using N-methylsuccinyl-Ala-Ala-Pro-Val-7-amino-4-methylcoumarin as substrate measured every 30 secs for 10 mi...More data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
8/18/2020
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetNeutrophil elastase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

Affinity DataKi:  15nMAssay 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 sidPDBSimilars

In Depth
Date in BDB:
12/3/2016
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetNeutrophil elastase(Human)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

Affinity DataKi:  15nMMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

In Depth
Date in BDB:
10/13/2025
Entry Details
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetNeutrophil elastase(Mouse)
Bayer HealthCare AG

Curated by ChEMBL

LigandBDBM50120426(CHEMBL3617968)Copy SMILESCopy InChI

Affinity DataKi:  700nMMore data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPurchaseCHEMBLPC cidPC sidPDBSimilars

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