BDBM227123 US9328096, 811

SMILES CC(C)n1nc(-c2cccc(C(F)(F)F)c2)nc1[C@H]1[C@@H]2C[C@H](N3CCOCC3)C[C@@H]21

InChI Key InChIKey=TVXYRRJXLCLISF-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 227123   

Target7-dehydrocholesterol reductase(Human)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 227123BDBM227123(4-((1R,3r,5S,6r)-6-(1-iso- propyl-3-(3-(trifluorom...)
Affinity DataKi:  9.93nMAssay 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