BDBM50443613 CHEMBL3092201

SMILES: CS(=O)(=O)c1cc(ccc1C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=AVADRYZARZLOBJ-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 = 50443613   

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))	BDBM50443613 (CHEMBL3092201) Show SMILES CS(=O)(=O)c1cc(ccc1C(=O)N1CCC(CC1)N(C1CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24F6N2O5S2/c1-38(34,35)21-14-16(24(28,29)30)5-8-20(21)22(33)31-11-9-18(10-12-31)32(17-6-7-17)39(36,37)19-4-2-3-15(13-19)23(25,26)27/h2-5,8,13-14,17-18H,6-7,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.30E+3	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