BDBM50289343 (S)-1-[(R)-2-(Butane-1-sulfonylamino)-3-phenyl-propionyl]-pyrrolidine-2-carboxylic acid [(R)-4-(pyrimidin-2-ylsulfanyl)-1-((2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-butyl]-amide::CID44380633::heterocyclic thrombin inhibitor 7

SMILES CCCCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCSc1ncccn1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

InChI Key InChIKey=RBPMKQZFSNREQU-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50289343   

TargetProthrombin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50289343(heterocyclic thrombin inhibitor 7 | (S)-1-[(R)-2-(...)
Affinity DataKi:  8.80nMAssay Description:Tested for the binding affinity against thrombinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/27/2012
Entry Details Article