BDBM336074 4-(2-(3-(3-chloro-2-fluoro-6- (trifluoromethyl)phenyl)-4,5- dihydroisoxazole-5-carbonyl)-5- (4-methoxypiperidin-1-yl)- 1,2,3,4-tetrahydroisoquinoline-1- carboxamido)benzoic acid, TFA salt::US9738655, Example 297::US9738655, Example 298

SMILES COC1CCN(CC1)c1cccc2C(N(CCc12)C(=O)C1CC(=NO1)c1c(F)c(Cl)ccc1C(F)(F)F)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key InChIKey=YCGVFCIHVNNBFQ-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 = 336074   

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM336074(US9738655, Example 298 | 4-(2-(3-(3-chloro-2-fluor...)
Affinity DataKi:  46.3nMAssay 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:
7/1/2019
Entry Details
US Patent

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM336074(US9738655, Example 298 | 4-(2-(3-(3-chloro-2-fluor...)
Affinity DataKi:  64.8nMAssay 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:
7/1/2019
Entry Details
US Patent

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM336074(US9738655, Example 298 | 4-(2-(3-(3-chloro-2-fluor...)
Affinity DataKi:  1.01E+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
In Depth
Date in BDB:
7/1/2019
Entry Details
US Patent

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM336074(US9738655, Example 298 | 4-(2-(3-(3-chloro-2-fluor...)
Affinity DataKi:  1.28E+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
In Depth
Date in BDB:
7/1/2019
Entry Details
US Patent