BDBM476446 2-chloro-3,4-dimethylphenyl (3S)-4- [N2-cyclohexyl-N6-(1-methylethyl)-D- lysyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 102

SMILES CC(C)NCCCC[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccc(C)c(C)c1Cl

InChI Key InChIKey=UXGSPHQPLYXCBN-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 = 476446   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM476446(2-chloro-3,4-dimethylphenyl (3S)-4- [N2-cyclohexyl...)
Affinity DataIC50: 0.700nMAssay 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
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