BDBM50443605 CHEMBL3092197

SMILES: CC(C)(C1CCN(CC1)C(=O)c1ccc(cc1OC(F)(F)F)S(C)(=O)=O)S(=O)(=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=YUAUQYXSYMIINF-UHFFFAOYSA-N

Data: 1 EC50

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 = 50443605   

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))	BDBM50443605 (CHEMBL3092197) Show SMILES CC(C)(C1CCN(CC1)C(=O)c1ccc(cc1OC(F)(F)F)S(C)(=O)=O)S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C24H25F6NO6S2/c1-22(2,39(35,36)18-6-4-5-16(13-18)23(25,26)27)15-9-11-31(12-10-15)21(32)19-8-7-17(38(3,33)34)14-20(19)37-24(28,29)30/h4-8,13-15H,9-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activation of PXR (unknown origin)				ACS Med Chem Lett 4: 1064-8 (2013) Article DOI: 10.1021/ml4002612 BindingDB Entry DOI: 10.7270/Q2FT8NHJ
					More data for this Ligand-Target Pair