BDBM50333716 CHEMBL1643736::N-tert-butyl-2-(1-(2-(tert-butylamino)-2-oxoethyl)-2-(2-methoxyphenyl)-1H-indol-5-yl)-2-methylpropanamide

SMILES: COc1ccccc1-c1cc2cc(ccc2n1CC(=O)NC(C)(C)C)C(C)(C)C(=O)NC(C)(C)C

InChI Key: InChIKey=RKTAORFIYOHFPV-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 = 50333716   

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))	BDBM50333716 (CHEMBL1643736 | N-tert-butyl-2-(1-(2-(tert-butylam...) Show SMILES COc1ccccc1-c1cc2cc(ccc2n1CC(=O)NC(C)(C)C)C(C)(C)C(=O)NC(C)(C)C Show InChI InChI=1S/C29H39N3O3/c1-27(2,3)30-25(33)18-32-22-15-14-20(29(7,8)26(34)31-28(4,5)6)16-19(22)17-23(32)21-12-10-11-13-24(21)35-9/h10-17H,18H2,1-9H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	740	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