BDBM228824 2-(5-Fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy)acetic acid (5)

SMILES OC(=O)COc1cc(F)ccc1C(=O)NCC#C

InChI Key InChIKey=PZTOBGBKDQCKIG-UHFFFAOYSA-N

Data  1 ITC

PDB links: 1 PDB ID matches this monomer.

  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 -- ITC Data from BindingDB

Found 1 hit for monomerid = 228824   

CellAldose reductase (AR)(Homo sapiens (Human))
Philipps-Universitšt Marburg

SyringePNGBDBM228824(2-(5-Fluoro-2-(prop-2-yn-1-ylcarbamoyl)phenoxy)ace...)
ITC DataΔG°: -7.52kcal/mole −TΔS°: -3.51kcal/mole ΔH°: -11.0kcal/mole logk: 3.57E+8
pH: 8.0 T: 24.85°C 
Syringe InfoPC cidPC sidPDB