BDBM50312533 (R)-N-((2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2,8-di-sec-butyl-15-(3-guanidinopropyl)-21-methoxy-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-10-oxa-1,4,7,14,17-pentaazabicyclo[16.3.1]docosan-12-yl)-2,3-dihydroxypropanamide::CHEMBL1076831

SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7](-[#6])-[#6](=O)-[#6@H](-[#6@@H](-[#6])-[#6]-[#6])-[#7]-2-[#6@@H](-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#8])-[#6]-[#8])-[#6@@H](-[#6])-[#8]-[#6]-1=O)-[#6]-2=O)-[#8]-[#6]

InChI Key InChIKey=LTUMHTRNIXBGJW-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 = 50312533   

TargetProthrombin(Human)
Tel-Aviv University

Curated by ChEMBL
LigandPNGBDBM50312533((R)-N-((2S,5S,8S,11R,12S,15S,18S,21R)-5-benzyl-2,8...)
Affinity DataIC50: 5.29E+4nMAssay Description:Inhibition of thrombin after 20 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/17/2010
Entry Details Article
PubMed