BDBM50533253 CHEMBL4441232

SMILES COc1cc(ccc1CN)C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3c4ccccc4)n5cc(nn5)C6CC6

InChI Key InChIKey=AYVQDWAWTUYBGU-UHFFFAOYSA-N

Data  12 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50533253   

TargetCoagulation factor X(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50533253(CHEMBL4441232)
Affinity DataIC50: 7.20E+4nMAssay Description:Inhibition of human f10aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50533253(CHEMBL4441232)
Affinity DataIC50: 7.20E+4nMAssay Description:Inhibition of human f10aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetChymotrypsinogen B2(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50533253(CHEMBL4441232)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human chymotrypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50533253(CHEMBL4441232)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetProthrombin(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50533253(CHEMBL4441232)
Affinity DataIC50: 5.40E+4nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50533253(CHEMBL4441232)
Affinity DataIC50: 19nMAssay Description:Inhibition of human PRSS1 assessed as enzymatic cleavage of Benzoyl-GlyPro-Arg'Rh110-gammaGlu-OH by fluorescence analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50533253(CHEMBL4441232)
Affinity DataIC50: 1.20E+4nMAssay Description:Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells measured after 90 mins by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50533253(CHEMBL4441232)
Affinity DataIC50: 1.20E+4nMAssay Description:Displacement of [3H]-dofetilide from human ERG expressed in HEK293 cells measured after 90 mins by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetChymotrypsinogen B2(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50533253(CHEMBL4441232)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human chymotrypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetNeutrophil elastase(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50533253(CHEMBL4441232)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human neutrophil elastaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetProthrombin(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50533253(CHEMBL4441232)
Affinity DataIC50: 5.40E+4nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetSerine protease 1(Human)
Novartis Pharma

Curated by ChEMBL
LigandPNGBDBM50533253(CHEMBL4441232)
Affinity DataIC50: 19nMAssay Description:Inhibition of human PRSS1 assessed as enzymatic cleavage of Benzoyl-GlyPro-Arg'Rh110-gammaGlu-OH by fluorescence analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed