BDBM50288615 (3S,4R)-3-{(S)-2-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-pentylcarbamoyl]-pyrrolidine-1-carbonyl}-4-(3-trifluoromethyl-phenyl)-pyrrolidine-1-carboxylic acid tert-butyl ester; hydrochloride::CHEMBL2448353

SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CN(C[C@H]1c1cccc(c1)C(F)(F)F)C(=O)OC(C)(C)C

InChI Key InChIKey=BYKRUBJDHYZFGK-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 = 50288615   

TargetProthrombin(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50288615((3S,4R)-3-{(S)-2-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9...)
Affinity DataKi:  0.320nMAssay Description:Compound was evaluated for the inhibitory activity against thrombin.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article