BDBM388554 Methyl [(7S)-7-({[4-(aminomethyl)-3-cyclopropylphenyl]carbonyl}amino)-2-oxo-1,2,3,4,5,6,7,9-octahydro-11,8-(azeno)-1,9-benzodiazacyclotridecin-14-yl]carbamate::US9944643, 1

SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)c1ccc(C[NH3+])c(c1)C1CC1

InChI Key InChIKey=JJTQKWOKMSTSLN-UHFFFAOYSA-O

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 = 388554   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM388554(US9944643, 1 | Methyl [(7S)-7-({[4-(aminomethyl)-3...)
Affinity DataKi:  100nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; J T B...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details
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