BDBM289829 US10093683, Example 131a::US10093683, Example 131b::US10093683, Example 131c::US10093683, Example 131d

SMILES COC(=O)Nc1ccc2[nH]c(nc2c1)C(Cc1ccccc1)C(=O)N1CCC2(C1)OC(=O)Nc1ccc(Cl)cc21

InChI Key InChIKey=RRSWVDNKDOMTIU-UHFFFAOYSA-N

Data  4 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 289829   

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289829(US10093683, Example 131a | US10093683, Example 131...)
Affinity DataKi:  354nM ΔG°:  -8.79kcal/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
Go to US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289829(US10093683, Example 131a | US10093683, Example 131...)
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
In Depth
Date in BDB:
1/23/2019
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289829(US10093683, Example 131a | US10093683, Example 131...)
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
In Depth
Date in BDB:
1/23/2019
Entry Details
Go to US Patent

TargetCoagulation factor XI(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM289829(US10093683, Example 131a | US10093683, Example 131...)
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
In Depth
Date in BDB:
1/23/2019
Entry Details
Go to US Patent