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 CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2OC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](O)CO)[C@@H](C)OC1=O

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
LigandChemical structure of BindingDB Monomer ID 50312533BDBM50312533((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