BDBM21663 N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide::T0901317 analogue, 2

SMILES: OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F

InChI Key: InChIKey=YKHCWWRCGHFHFR-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

PDB links: 5 PDB IDs contain this monomer as substructures. 5 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 21663   

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
Pregnane X receptor (Homo sapiens (Human))	BDBM21663 (N-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-N-(2,...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)C(F)(F)F Show InChI InChI=1S/C16H13F6NO3S/c17-15(18,19)10-23(27(25,26)13-4-2-1-3-5-13)12-8-6-11(7-9-12)14(24)16(20,21)22/h1-9,14,24H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	1.00E+3	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