BDBM50520867 CHEMBL4441346

SMILES COc1ccc(NC(=O)c2nc3CCN(C)Cc3s2)c(c1)C(=O)Nc1ccc(Cl)cn1

InChI Key InChIKey=USJGYEQJWLDDDM-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 50520867   

TargetCoagulation factor VII(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520867(CHEMBL4441346)
Affinity DataIC50: 12nMAssay Description:Inhibition of human factor 7a preincubated for 30 mins followed by substrate addition and measured for 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetCoagulation factor IX(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520867(CHEMBL4441346)
Affinity DataIC50: 36nMAssay Description:Inhibition of human factor 9a preincubated for 30 mins followed by substrate addition and measured for 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetTrypsin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520867(CHEMBL4441346)
Affinity DataIC50: 9.10nMAssay Description:Inhibition of human trypsin preincubated for 30 mins followed by substrate addition and measured for 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetProthrombin(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520867(CHEMBL4441346)
Affinity DataIC50: 4.20nMAssay Description:Inhibition of human recombinant thrombin expressed in HEK293 cells using S-2238 as substrate preincubated for 30 mins followed by substrate addition ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed
TargetCoagulation factor X(Human)
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520867(CHEMBL4441346)
Affinity DataIC50: 3.5nMAssay Description:Inhibition of human factor Xa using S-2222 as substrate preincubated for 30 mins followed by substrate addition and measured for 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed