BDBM476514 (2S)-N-(3-chlorobenzyl)-4-[(4S,5S)-4- methyl-5-phenyl-4,5-dihydro-1,3- oxazol-2-yl]-1-{N-[(1R)-1- methylpropyl]-6-piperidin-1-yl-D- norleucyl}piperazine-2-carboxamide::US10875851, Example 170

SMILES CCC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccc(Cl)c1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1

InChI Key InChIKey=IVBJOTSSTWRPGC-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 = 476514   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM476514((2S)-N-(3-chlorobenzyl)-4-[(4S,5S)-4- methyl-5-phe...)
Affinity DataIC50: 2.5nMAssay 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
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Date in BDB:
7/25/2021
Entry Details
Go to US Patent