BDBM50139757 1N-[3-[3-amino(imino)methylaminopropyl]-7-benzyl-10-(4-hydroxybenzyl)-1,4,5,8,14,18-hexaoxo-(3S,7R,10S,17S,22aS)-1,2,3,4,5,6,7,8,9,10,13,14,15,16,17,18,20,21-octadecahydropyrrolo[2,1-j][1,4,8,11,15]pentaazacycloicosin-17-yl]-2-phenyla::CHEMBL352188

SMILES NC(=N)NCCC[C@@H]1NC(=O)C2CCCN2C(=O)[C@H](CNC(=O)\C=C\[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C1=O)NC(=O)Cc1ccccc1

InChI Key InChIKey=BZVUMAAUJWKVFP-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50139757   

TargetProthrombin(Human)
Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL
LigandPNGBDBM50139757(1N-[3-[3-amino(imino)methylaminopropyl]-7-benzyl-1...)
Affinity DataKi:  3.10nMAssay Description:Binding affinity to human thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed