BDBM50340630 CHEMBL4176442

SMILES [H][C@@]12CC[C@@H](O)N([C@@H]([C@H](C)CC)C(=O)N(C)[C@@H](Cc3ccc(OC)c(Br)c3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@H](O)COS(O)(=O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1)C2=O

InChI Key InChIKey=WHWSXOBODBZZJZ-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50340630   

TargetTrypsin(Homo sapiens (Human))
Oregon State University

Curated by ChEMBL
LigandPNGBDBM50340630(CHEMBL4176442)
Affinity DataIC50:  160nMAssay Description:Inhibition of trypsin (unknown origin) assessed as reduction in conversion of N-benzoyl-L-arginine ethyl ester hydrochloride to N-benzoyl-L-arginine ...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed