BDBM227125 US9328096, 813

SMILES CC(C)n1nc(-c2cccc(C(F)(F)F)c2)nc1[C@@H]1CC[C@H](N2CCOCC2)C1

InChI Key InChIKey=MAVBNADNFASPAI-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 227125   

Target7-dehydrocholesterol reductase(Human)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 227125BDBM227125(4-((1S,3R)-3-(1-isopropyl-3- (3-(trifluoromethyl)p...)
Affinity DataKi:  10.9nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/21/2026
Entry Details
US Patent