BDBM241549 US9409908, 181::US9951071, Example 181

SMILES C#Cc1ccc(Cl)c(F)c1C1=CC(=O)N([C@H]2CCC[C@@H](C)C(=O)Nc3cc(NC(=O)OC)ccc3-c3ccnc2c3)CC1

InChI Key InChIKey=QYWRPJPBRRCNJD-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 = 241549   

TargetCoagulation factor XI(Human)
Bristol Myers Squibb

US Patent
LigandChemical structure of BindingDB Monomer ID 241549BDBM241549(US9409908, 181 | US9951071, Example 181)
Affinity DataKi:  0.100nMAssay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2020
Entry Details
US Patent

TargetCoagulation factor IX(Human)
Bristol Myers Squibb

US Patent
LigandChemical structure of BindingDB Monomer ID 241549BDBM241549(US9409908, 181 | US9951071, Example 181)
Affinity DataKi:  0.100nMpH: 7.4Assay Description:Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/7/2017
Entry Details
US Patent

TargetPlasma kallikrein(Human)
Bristol Myers Squibb

US Patent
LigandChemical structure of BindingDB Monomer ID 241549BDBM241549(US9409908, 181 | US9951071, Example 181)
Affinity DataKi:  3.29nM ΔG°:  -12.0kcal/moleT: 2°CAssay Description:Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/7/2017
Entry Details
US Patent

TargetPlasma kallikrein(Human)
Bristol Myers Squibb

US Patent
LigandChemical structure of BindingDB Monomer ID 241549BDBM241549(US9409908, 181 | US9951071, Example 181)
Affinity DataKi:  3.29nMAssay Description:Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/16/2020
Entry Details
US Patent