BDBM289812 US10093683, Example 120a::US10093683, Example 120b::US10093683, Example 120c::US10093683, Example 120d

SMILES COC(=O)Nc1ccc(NC(=O)C(Cc2ccccc2)C(=O)N2CCC3(C2)OC(=O)Nc2ccc(Cl)cc32)cc1

InChI Key InChIKey=XHSHPGMIHFWPIN-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 289812   

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

US Patent
LigandPNGBDBM289812(US10093683, Example 120a | US10093683, Example 120...)
Affinity DataKi:  1.44E+3nM ΔG°:  -7.96kcal/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
LigandPNGBDBM289812(US10093683, Example 120a | US10093683, Example 120...)
Affinity DataKi:  4.95E+3nM ΔG°:  -7.23kcal/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
LigandPNGBDBM289812(US10093683, Example 120a | US10093683, Example 120...)
Affinity DataKi:  5.00E+3nM ΔG°:  -7.23kcal/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
LigandPNGBDBM289812(US10093683, Example 120a | US10093683, Example 120...)
Affinity DataKi:  5.00E+3nM ΔG°:  -7.23kcal/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