BDBM50333722 CHEMBL1643728::N-tert-butyl-2-(1-(2-(tert-butylamino)-2-oxoethyl)-2-phenyl-1H-indol-5-yl)-2-methylpropanamide

SMILES: CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)-c1ccccc1

InChI Key: InChIKey=PFOCNQRWWASAAD-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 = 50333722   

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))	BDBM50333722 (CHEMBL1643728 | N-tert-butyl-2-(1-(2-(tert-butylam...) Show SMILES CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)-c1ccccc1 Show InChI InChI=1S/C28H37N3O2/c1-26(2,3)29-24(32)18-31-22-15-14-21(28(7,8)25(33)30-27(4,5)6)16-20(22)17-23(31)19-12-10-9-11-13-19/h9-17H,18H2,1-8H3,(H,29,32)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Activity at PXR by induction assay				Bioorg Med Chem Lett 21: 869-73 (2011) Article DOI: 10.1016/j.bmcl.2010.11.067 BindingDB Entry DOI: 10.7270/Q2B27VJK
					More data for this Ligand-Target Pair