BDBM289807 US10093683, Example 118A::US10093683, Example 118B::US10093683, Example 118C::US10093683, Example 118D

SMILES CO[C@@H](C)C[C@H](NC(=O)c1ccc(NC(=O)OC)cc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21

InChI Key InChIKey=JDHKEVGLJFJXSG-UHFFFAOYSA-N

Data  4 KI

  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 4 hits for monomerid = 289807   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289807(US10093683, Example 118A | US10093683, Example 118...)
Affinity DataKi:  0.720nM ΔG°:  -12.5kcal/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
In Depth
Date in BDB:
1/23/2019
Entry Details
US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289807(US10093683, Example 118A | US10093683, Example 118...)
Affinity DataKi:  2.52nM ΔG°:  -11.7kcal/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
In Depth
Date in BDB:
1/23/2019
Entry Details
US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289807(US10093683, Example 118A | US10093683, Example 118...)
Affinity DataKi:  95.4nM ΔG°:  -9.57kcal/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
In Depth
Date in BDB:
1/23/2019
Entry Details
US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289807(US10093683, Example 118A | US10093683, Example 118...)
Affinity DataKi:  246nM ΔG°:  -9.01kcal/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
In Depth
Date in BDB:
1/23/2019
Entry Details
US Patent