BDBM50350697 CHEMBL1814820

SMILES Cc1cn([C@H]2C[C@H](OP(N)(=O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3OP(N)(=O)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@@H]3O)[C@@H](COP(N)(=O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(N)(=O)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(N)(=O)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(N)(=O)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(N)(=O)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(N)(=O)OC[C@@H](COP(N)(=O)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(N)(=O)O[C@@H]3C[C@@H](COP(N)(=O)O[C@H]4C[C@H](n5cc(C)c(=O)[nH]c5=O)O[C@@H]4COP(N)(=O)O[C@H]4C[C@H](n5c(C)cc(=O)[nH]c5=O)O[C@@H]4COP(N)(=O)O[C@H]4C[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COP(N)(=O)O[C@H]4C[C@H](n5cnc6c(=O)[nH]c(N)nc65)O[C@@H]4COC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)O[C@H]3n3cnc4c(=O)[nH]c(N)nc43)O[C@H](CN3CCNCC3)n3ccc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O

InChI Key InChIKey=ZRTNVHMBUFEFRD-UHFFFAOYSA-N

Data  1 Kd

  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 1 hit for monomerid = 50350697   

TargetProthrombin(Human)
University of Southern Denmark

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50350697BDBM50350697(CHEMBL1814820)
Affinity DataKd:  52.6nMAssay Description:Binding affinity to thrombin at 37 degC by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed