BDBM336077 4-((S)-2-((R)-3-(3-chloro-2- fluorophenyl)-4,5- dihydroisoxazole-5-carbonyl)-5- ((R)-3-methoxypyrrolidin-1-yl)- 1,2,3,4-tetrahydroisoquinoline-1- carboxamido)benzoic acid, TFA salt::US9738655, Example 300

SMILES CO[C@@H]1CCN(C1)c1cccc2[C@H](N(CCc12)C(=O)[C@H]1CC(=NO1)c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key InChIKey=HRMKSRKSQRTIIL-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 336077   

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM336077(4-((S)-2-((R)-3-(3-chloro-2- fluorophenyl)-4,5- di...)
Affinity DataKi:  4.15nMAssay 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

TargetCoagulation factor XI(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM336077(4-((S)-2-((R)-3-(3-chloro-2- fluorophenyl)-4,5- di...)
Affinity DataKi: <5nMAssay 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