BDBM476347 3-[(2R,3R)-2-({(2S)-4-[(2-chloro-3,4- dimethylphenoxy)carbonyl]-2- [(thiophen-2- ylmethyl)carbamoyl]piperazin-1- yl}carbonyl)piperidin-3-yl]-N,N,N- trimethylpropan-1-aminium::US10875851, Example 112::US10875851, Example 3

SMILES Cc1ccc(OC(=O)N2CCN([C@@H](C2)C(=O)NCc2cccs2)C(=O)[C@@H]2NCCC[C@@H]2CCC[N+](C)(C)C)c(Cl)c1C

InChI Key InChIKey=QLEBZDKWRJXENI-UHFFFAOYSA-O

Data  2 IC50

  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 2 hits for monomerid = 476347   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476347BDBM476347(3-[(2R,3R)-2-({(2S)-4-[(2-chloro-3,4- dimethylphen...)
Affinity DataIC50: 13.3nMAssay Description:The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIIa can be determined using a relevant purified serin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2021
Entry Details
US Patent

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476347BDBM476347(3-[(2R,3R)-2-({(2S)-4-[(2-chloro-3,4- dimethylphen...)
Affinity DataIC50: 14.3nMAssay Description:The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIIa can be determined using a relevant purified serin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2021
Entry Details
US Patent