BDBM26262 (2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(2,3,4,5,6-pentafluorophenoxy)propanamide::C-23
SMILES: C[C@](O)(COc1c(F)c(F)c(F)c(F)c1F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
InChI Key: InChIKey=MMNRWNREMUMYQG-INIZCTEOSA-N
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 |
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Androgen receptor (Rattus norvegicus (Rat)) | BDBM26262 ((2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 1.40 | -11.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
The Ohio State University | Assay Description The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (... | Bioorg Med Chem Lett 18: 5567-70 (2008) Article DOI: 10.1016/j.bmcl.2008.09.002 BindingDB Entry DOI: 10.7270/Q2W0948B | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |