BDBM50543716 CHEMBL4635919

SMILES CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@](C)(C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1)C#N

InChI Key InChIKey=VJLLQKAIQIIVTI-UHFFFAOYSA-N

Data  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50543716   

TargetCoagulation factor XI(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50543716(CHEMBL4635919)
Affinity DataIC50: 28nMAssay Description:Inhibition of factor 11a (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50543716(CHEMBL4635919)
Affinity DataIC50: 2.74E+3nMAssay Description:Inhibition of factor 10a (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCoagulation factor XII(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50543716(CHEMBL4635919)
Affinity DataIC50: 7.30E+3nMAssay Description:Inhibition of factor 12a (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCoagulation factor VII(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50543716(CHEMBL4635919)
Affinity DataIC50: 1.13E+3nMAssay Description:Inhibition of factor 7a (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetCoagulation factor IX(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50543716(CHEMBL4635919)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of factor 9a (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetProthrombin(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50543716(CHEMBL4635919)
Affinity DataIC50: 289nMAssay Description:Inhibition of thrombin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetTrypsin(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50543716(CHEMBL4635919)
Affinity DataIC50: 3.37E+3nMAssay Description:Inhibition of trypsin (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed