BDBM21664 N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide::T0901317 analogue, 3
SMILES: CC(O)(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F
InChI Key: InChIKey=DKJFEFWRUFUJLQ-UHFFFAOYSA-N
PDB links: 5 PDB IDs contain this monomer as substructures. 5 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Pregnane X receptor (Homo sapiens (Human)) | BDBM21664 (N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3.98E+3 | n/a | 501 | n/a | n/a | 8.0 | 22 |
University of North Carolina at Chapel Hill | Assay Description Polylysine YiO imaging beads (Amersham, GE Healthcare) were coated with histidine-tagged WT PXR LBD. Nonspecific binding sites were blocked with BSA.... | Bioorg Med Chem 15: 2156-66 (2007) Article DOI: 10.1016/j.bmc.2006.12.026 BindingDB Entry DOI: 10.7270/Q2PG1Q15 | |||||||||||
More data for this Ligand-Target Pair |