BDBM24425 (3R,5R)-7-(2-ethyl-3-{[(4-phenylphenyl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,5-dihydroxyheptanoic acid::Bicyclic Pyrrole Series 3 Compound, 12

SMILES CCc1c(C(=O)NCc2ccc(cc2)-c2ccccc2)c2CCCCc2n1CC[C@@H](O)C[C@@H](O)CC(O)=O

InChI Key InChIKey=GWVOIHFVBHAWDA-JWQCQUIFSA-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 = 24425   

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

SyringePNGBDBM24425((3R,5R)-7-(2-ethyl-3-{[(4-phenylphenyl)methyl]carb...)
ITC DataΔG°: -10.2kcal/mole −TΔS°: -5.09kcal/mole ΔH°: -5.19kcal/mole logk: 2.46E+7
pH: 7.2 T: 30.00°C