BDBM339906 (2S)-Tetrahydrofuran-2-ylmethyl 5-({(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl-3-cyclohexyl)carbonyl]-3-cyclohexyl-L-prolyl}amino)-1-benzofuran-2-carboxylate::US9758480, 121

SMILES N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2oc(cc2c1)C(=O)NS(=O)(=O)c1ccccc1)c1ccccc1

InChI Key InChIKey=XYUCDEMKBIBRIA-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 = 339906   

TargetCoagulation factor XI(Human)
Sumitomo Dainippon Pharma

US Patent
LigandPNGBDBM339906(US9758480, 121 | (2S)-Tetrahydrofuran-2-ylmethyl 5...)
Affinity DataIC50: 43nMAssay Description:0.35 μg/mL human FXIa was allowed to react with a substrate and a test compound in a 30 mmol/L HEPES buffer solution (pH 7.4) that contained 145...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/22/2019
Entry Details
Go to US Patent