BDBM349977 (R,E)-4-(2-(3-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-3,3-dimethyl-5-(piperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido) benzoic acid, bis-TFA salt.::US10208021, Example 193

SMILES CC1(C)Cc2c(cccc2N2CCNCC2)[C@@H](N1C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key InChIKey=HKMJPPSDDFTHNG-SZNWCZRISA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 349977   

TargetCoagulation factor XI(Homo sapiens (Human))
Bristol-Myers Squibb

US Patent
LigandPNGBDBM349977((R,E)-4-(2-(3-(3-Chloro-2-fluoro-6-(1H-tetrazol-1-...)
Affinity DataKi:  107nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent