BDBM476362 US10875851, Example 18::quinazolin-8-yl (3S)-4-(N,3- dicyclohexyl-D-alanyl)-3-[(thiophen- 2-ylmethyl)carbamoyl]piperazine-1- carboxylate

SMILES O=C(NCc1cccs1)[C@@H]1CN(CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCCCC1)C(=O)Oc1cccc2cncnc12

InChI Key InChIKey=QEHWIUJXKLFIMB-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 = 476362   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM476362(quinazolin-8-yl (3S)-4-(N,3- dicyclohexyl-D-alanyl...)
Affinity DataIC50: 4.5nMAssay 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
US Patent