BDBM241436 US9409908, 68::US9951071, Example 68

SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)c(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccccc2NC1=O

InChI Key InChIKey=JSZAYFVPBHXVCY-CJAUYULYSA-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 = 241436   

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM241436(US9409908, 68 | US9951071, Example 68)
Affinity DataKi:  0.0500nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetCoagulation factor IX(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM241436(US9409908, 68 | US9951071, Example 68)
Affinity DataKi:  0.0500nMpH: 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM241436(US9409908, 68 | US9951071, Example 68)
Affinity DataKi:  3nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent


TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM241436(US9409908, 68 | US9951071, Example 68)
Affinity DataKi:  3nM ΔG°:  -12.1kcal/moleT: 37°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
Ligand InfoPC cidPC sid
In DepthDetails US Patent