BDBM298277 US10123995, Example 1

SMILES CC(C)(C)OC(=O)c1ccc(NC(=O)C2CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)cc1

InChI Key InChIKey=OJUOJXHGPJYWPP-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 298277   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM298277(US10123995, Example 1)
Affinity DataIC50: 3.80nMAssay Description:The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2019
Entry Details
US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM298277(US10123995, Example 1)
Affinity DataIC50: 473nMAssay Description:The effectiveness of a compound of the present invention as an inhibitor of Kallikrein can be determined using a relevant purified serine protease, a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/11/2019
Entry Details
US Patent