BDBM476350 2-chlorophenyl (3S)-4-[N-(2-benzyl- 2-azaspiro[4.5]dec-8-yl)-3- cyclohexyl-D-alanyl]-3-[(thiophen-2- ylmethyl)carbamoyl]piperazine-1- carboxylate::US10875851, Example 13::US10875851, Example 14::US10875851, Example 6

SMILES O=C(NCc1cccs1)[C@@H]1CN(C(=O)Oc2ccccc2Cl)CCN1C(=O)[C@@H](CC1CCCCC1)NC1CCC2(CC1)CCN(Cc1ccccc1)C2

InChI Key InChIKey=BDXROOARTLDMIK-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 476350   

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476350BDBM476350(2-chlorophenyl (3S)-4-[N-(2-benzyl- 2-azaspiro[4.5...)
Affinity DataIC50: 5.80nMAssay 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

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476350BDBM476350(2-chlorophenyl (3S)-4-[N-(2-benzyl- 2-azaspiro[4.5...)
Affinity DataIC50: 6.60nMAssay 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

TargetCoagulation factor XII(Human)
Merck Sharp & Dohme

US Patent
LigandChemical structure of BindingDB Monomer ID 476350BDBM476350(2-chlorophenyl (3S)-4-[N-(2-benzyl- 2-azaspiro[4.5...)
Affinity DataIC50: 11.7nMAssay 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