BDBM352302 US9802939, I-77::{(9R,14S)-14-[(E)-3-(5-Chloro-2-tetrazol-1-yl-phenyl)-acryloylamino]-9-hydroxymethyl-8,16,18-triaza-tricyclo[13.2.1.02,7]octadeca-1(17),2,4,6,15(18)-pentaen-5-yl}-carbamic acid methyl ester, 2 TFA salt

SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@H](CO)[C@H](CO)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1

InChI Key InChIKey=GSUOHWDZBHDFTM-UHFFFAOYSA-N

Data  1 KI

  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 = 352302   

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM352302(US9802939, I-77 | {(9R,14S)-14-[(E)-3-(5-Chloro-2-...)
Affinity DataKi: <5nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/1/2019
Entry Details
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