BDBM50520865 CHEMBL4469752

SMILES COc1ccc(NC(=O)c2nc3CCN(C)Cc3s2)c(c1)C(=O)Nc1ccc(Cl)cc1

InChI Key InChIKey=XRUVLDILTYCIKH-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 = 50520865   

TargetProthrombin(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520865(CHEMBL4469752)
Affinity DataIC50:  7.10nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetTrypsin(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520865(CHEMBL4469752)
Affinity DataIC50:  18nMAssay Description:Inhibition of human trypsin preincubated for 30 mins followed by substrate addition and measured for 20 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCoagulation factor VII(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520865(CHEMBL4469752)
Affinity DataIC50:  4.70nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520865(CHEMBL4469752)
Affinity DataIC50:  4.80nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCoagulation factor IX(Homo sapiens (Human))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50520865(CHEMBL4469752)
Affinity DataIC50:  26nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed