BDBM50072284 (1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,10a-tetramethyl-7-(4-methyl-2-oxo-pent-3-enyl)-8-oxo-2,3,4,4a,4b,5,6,6a,6b,7,8,9a,10,10a,12,12a-hexadecahydro-1H-9-oxa-pentaleno[2,1-a]phenanthrene-1-carboxylic acid::CHEMBL457155::GR-133686

SMILES [H][C@@]12[#6]-[#6][C@]3([#6])[C@@]4([H])[#6]-[#6][C@@]5([#6])[C@]6([H])[#6@@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8][C@@]6([H])[#6][C@]5([#6])[#6]4=[#6]-[#6][C@@]3([H])[C@]1([#6])[#6](=O)-[#8]2

InChI Key InChIKey=UAKRLLAUOQEYFN-PQNCNOJFSA-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 = 50072284   

TargetChymotrypsin-C(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM50072284((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...)
Affinity DataIC50:  70nMAssay 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
LigandPNGBDBM50072284((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...)
Affinity DataIC50:  4nMAssay Description:Inhibition of trypsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCoagulation factor X(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM50072284((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeutrophil elastase(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM50072284((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...)
Affinity DataIC50: >1.00E+4nMAssay Description:Compound was evaluated for the inhibition of human leukocyte elastase(HLE).More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSerine protease 1(Homo sapiens (Human))
Glaxo Wellcome Research And Development

Curated by ChEMBL
LigandPNGBDBM50072284((1S,2R,4aR,6aS,6bS,7R,9aS,10aS)-2-Acetoxy-1,4a,6a,...)
Affinity DataIC50:  70nMAssay Description:Compound was evaluated for the inhibition of Coagulation factor XMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed