BDBM50443610 CHEMBL3092204

SMILES: CS(=O)(=O)c1ccc(C(=O)N2CCC(CC2)N(C2CC2)S(=O)(=O)c2cccc(c2)C(F)(F)F)c(Cl)c1

InChI Key: InChIKey=FSJLJXTZRDZGLV-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 = 50443610   

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))	BDBM50443610 (CHEMBL3092204) Show SMILES CS(=O)(=O)c1ccc(C(=O)N2CCC(CC2)N(C2CC2)S(=O)(=O)c2cccc(c2)C(F)(F)F)c(Cl)c1 Show InChI InChI=1S/C23H24ClF3N2O5S2/c1-35(31,32)18-7-8-20(21(24)14-18)22(30)28-11-9-17(10-12-28)29(16-5-6-16)36(33,34)19-4-2-3-15(13-19)23(25,26)27/h2-4,7-8,13-14,16-17H,5-6,9-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.08E+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