BDBM50072293 5-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan-3-yl)-pentanamidine; compound with acetic acid::CHEMBL323543::CHEMBL337572

SMILES NC(=N)CCCC[C@@H]1[C@H]2CCC[C@@H]2OC1=O

InChI Key InChIKey=LLZNZOUKCHIYKS-BBBLOLIVSA-N

Data  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50072293   

TargetSerine protease 1(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM50072293(5-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Affinity DataIC50:  40nMAssay Description:Inhibition of trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM50072293(5-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Affinity DataIC50:  130nMAssay Description:Inhibitory activity of the compound against human thrombin was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetChymotrypsin-C(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM50072293(5-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Affinity DataIC50: >1.00E+5nMAssay Description:Compound was evaluated for the inhibition of ChymotrypsinogenMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetProthrombin(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM50072293(5-((3R,3aR,6aS)-2-Oxo-hexahydro-cyclopenta[b]furan...)
Affinity DataIC50:  130nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed