BDBM50333713 CHEMBL1643739::N-tert-butyl-2-(1-(2-(tert-butylamino)-2-oxo-1-(pyridin-2-yl)ethyl)-1H-indol-5-yl)-2-methylpropanamide

SMILES: CC(C)(C)NC(=O)C(c1ccccn1)n1ccc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C

InChI Key: InChIKey=WBRMXFKTCZLINW-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 = 50333713   

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))	BDBM50333713 (CHEMBL1643739 | N-tert-butyl-2-(1-(2-(tert-butylam...) Show SMILES CC(C)(C)NC(=O)C(c1ccccn1)n1ccc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C Show InChI InChI=1S/C27H36N4O2/c1-25(2,3)29-23(32)22(20-11-9-10-15-28-20)31-16-14-18-17-19(12-13-21(18)31)27(7,8)24(33)30-26(4,5)6/h9-17,22H,1-8H3,(H,29,32)(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	600	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