BDBM336111 4-((S)-2-((R)-3-(3-Chloro-2-fluorophenyl)-4,5-dihydroisoxazole-5-carbonyl)-5-(3-isopropyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, TFA salt::US9738655, Example 336

SMILES CC(C)c1nnc2CN(CCn12)c1cccc2[C@H](N(CCc12)C(=O)[C@H]1CC(=NO1)c1cccc(Cl)c1F)C(=O)Nc1ccc(cc1)C(O)=O

InChI Key InChIKey=PULGOHDYZKUKTQ-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 = 336111   

TargetPlasma kallikrein(Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM336111(4-((S)-2-((R)-3-(3-Chloro-2-fluorophenyl)-4,5-dihy...)
Affinity DataKi:  1.40nMAssay 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
LigandPNGBDBM336111(4-((S)-2-((R)-3-(3-Chloro-2-fluorophenyl)-4,5-dihy...)
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