BDBM229594 US9334288, 2

SMILES CCn1nc(-c2cncc(C(F)(F)F)c2)cc1[C@H]1[C@@H]2C[C@@H](N3CCCOCC3)C[C@@H]21

InChI Key InChIKey=IZEKTGGQNDYMPR-UHFFFAOYSA-N

Data  2 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

  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 = 229594   

Target7-dehydrocholesterol reductase(Human)
Broad Institute

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 229594BDBM229594(4-((1R,3s,5S,6r)-6-(1-ethyl- 3-(5-(trifluoromethyl...)
Affinity DataKi:  12.5nMAssay 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