BDBM50288458 CHEMBL431429::N-[3-((5S,18R,20aR)-4,7,16,17,20-Pentaoxo-5-phenyl-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](NC(=O)CCCCCCCNC(=O)C1=O)c1ccccc1

InChI Key InChIKey=TWCDKVREOXEJMY-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 50288458   

TargetSerine protease 1(Bovine)
TBA

Curated by ChEMBL
LigandPNGBDBM50288458(N-[3-((5S,18R,20aR)-4,7,16,17,20-Pentaoxo-5-phenyl...)
Affinity DataKi:  11nMAssay 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
LigandPNGBDBM50288458(N-[3-((5S,18R,20aR)-4,7,16,17,20-Pentaoxo-5-phenyl...)
Affinity DataKi:  163nMAssay Description:Inhibition of human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article