BDBM50288452 CHEMBL99281::N-[3-((5S,18R,20aR)-4,7,16,17,20-Pentaoxo-5-phenethyl-icosahydro-3a,6,15,19-tetraaza-cyclopentacyclononadecen-18-yl)-propyl]-guanidine

SMILES NC(=N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](CCc2ccccc2)NC(=O)CCCCCCCNC(=O)C1=O

InChI Key InChIKey=CAAKGZMZBILONA-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 50288452   

TargetSerine protease 1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM50288452(N-[3-((5S,18R,20aR)-4,7,16,17,20-Pentaoxo-5-phenet...)
Affinity DataKi:  14nMAssay Description:Inhibition of bovine trypsinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetProthrombin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50288452(N-[3-((5S,18R,20aR)-4,7,16,17,20-Pentaoxo-5-phenet...)
Affinity DataKi:  20nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article