BDBM289826 US10093683, Example 130::US10093683, Example 130A::US10093683, Example 130B

SMILES COC(=O)Nc1ccc(cc1)-c1ncc([nH]1)C(Cc1ccccc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21

InChI Key

Data  3 KI

  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 3 hits for monomerid = 289826   

TargetCoagulation factor XI(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289826(US10093683, Example 130 | US10093683, Example 130A...)
Affinity DataKi:  91.9nM ΔG°:  -9.59kcal/molepH: 7.4 T: 2°CAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCoagulation factor XI(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289826(US10093683, Example 130 | US10093683, Example 130A...)
Affinity DataKi:  360nM ΔG°:  -8.78kcal/molepH: 7.4 T: 2°CAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCoagulation factor XI(Homo sapiens (Human))
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289826(US10093683, Example 130 | US10093683, Example 130A...)
Affinity DataKi: >875nM ΔG°: >-8.26kcal/molepH: 7.4 T: 2°CAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent