BDBM24438 (3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-{[4-(2-methoxy-2-oxoethyl)phenyl]sulfamoyl}-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoic acid::Pyrrole Series 6 Compound, 25

SMILES COC(=O)Cc1ccc(NS(=O)(=O)c2c(C(C)C)n(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c2-c2ccc(F)cc2)-c2ccc(F)cc2)cc1

InChI Key InChIKey=OTJAFVIFFQBYTJ-FQLXRVMXSA-N

Data  1 ITC

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 24438   

Cell3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)(Homo sapiens (Human))
Boehringer Ingelheim Pharmaceuticals

SyringePNGBDBM24438((3R,5R)-7-[2,3-bis(4-fluorophenyl)-4-{[4-(2-methox...)
ITC DataΔG°: -10.2kcal/mole −TΔS°: 2.79kcal/mole ΔH°: -13.0kcal/mole logk: 2.34E+7
pH: 7.2 T: 30.00°C