BDBM50443606 CHEMBL3092208

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

InChI Key: InChIKey=UOGFJGVBVCOXLL-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 = 50443606   

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))	BDBM50443606 (CHEMBL3092208) Show SMILES NC(=O)c1ccc(C(=O)N2CCC(CC2)N(C2CC2)S(=O)(=O)c2cccc(c2)C(F)(F)F)c(OC(F)(F)F)c1 Show InChI InChI=1S/C24H23F6N3O5S/c25-23(26,27)15-2-1-3-18(13-15)39(36,37)33(16-5-6-16)17-8-10-32(11-9-17)22(35)19-7-4-14(21(31)34)12-20(19)38-24(28,29)30/h1-4,7,12-13,16-17H,5-6,8-11H2,(H2,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+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