BDBM476372 US10875851, Example 28::naphthalen-1-yl (3S)-3-{[4- (aminomethyl)-3- methoxybenzyl]carbamoyl}-4-[N-(2- benzyl-2-azaspiro[4.5]dec-8-yl)-3- cyclohexyl-D-alanyl]piperazine-1- carboxylate

SMILES COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)C(=O)Oc2cccc3ccccc23)ccc1CN

InChI Key InChIKey=XCGJNUJXPKBCRF-LFXDTDCVSA-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 = 476372   

TargetCoagulation factor XII(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM476372(US10875851, Example 28 | naphthalen-1-yl (3S)-3-{[...)
Affinity DataIC50:  3.90nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent