BDBM476408 2-chlorophenyl (3S)-4-{2(R)-2- (cyclohexylamino)-2-[1-(1H-pyrazol- 4-ylsulfonyl)piperidin-4-yl]acetyl}-3- [(thiophen-2- ylmethyl)carbamoyl]piperzine-1- carboxylate::US10875851, Example 64

SMILES O=C(NCc1cccs1)[C@@H]1CN(C(=O)Oc2ccccc2Cl)CCN1C(=O)[C@H](NC1CCCCC1)C1CCN(S(=O)(=O)c2cn[nH]c2)CC1

InChI Key InChIKey=QCSYYRIREALFHR-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 476408   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476408BDBM476408(2-chlorophenyl (3S)-4-{2(R)-2- (cyclohexylamino)-2...)
Affinity DataIC50: 21.1nMAssay 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