BDBM50333723 CHEMBL1643738::N-tert-butyl-5-(1-(tert-butylamino)-2-methyl-1-oxopropan-2-yl)-1-(2-(tert-butylamino)-2-oxoethyl)-1H-indole-2-carboxamide
SMILES: CC(C)(C)NC(=O)Cn1c(cc2cc(ccc12)C(C)(C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C
InChI Key: InChIKey=DMXXHOVVWMOBRX-UHFFFAOYSA-N
Data: 1 EC50
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)) | BDBM50333723 (CHEMBL1643738 | N-tert-butyl-5-(1-(tert-butylamino...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents | Article PubMed | n/a | n/a | n/a | n/a | 6.64E+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 |