BDBM229689 US9334269, 16

SMILES CC[C@H]1CN([C@@H]2CC[C@H](c3nc(-c4cnc(C(F)(F)F)nc4)nn3C(C)C)C2)CCO1

InChI Key InChIKey=GSJKYWKSPQNNHR-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 = 229689   

Target7-dehydrocholesterol reductase(Human)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 229689BDBM229689((S)-2-ethyl-4-((1R,3S)-3-(1- isopropyl-3-(2-(trifl...)
Affinity DataKi:  14.8nMAssay 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