BDBM18664 (2R)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide::Nonsteroidal AR Ligand, R-5
SMILES: C[C@@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
InChI Key: InChIKey=KJMFOTCDISOHDX-MRXNPFEDSA-N
Data: 1 KI
PDB links: 3 PDB IDs contain this monomer as substructures. 3 PDB IDs contain inhibitors having a similarity of 90% to this monomer.
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Androgen receptor (Rattus norvegicus (Rat)) | BDBM18664 ((2R)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-n...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 225 | -8.42 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
University of Tennessee at Memphis | 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 (... | J Med Chem 47: 993-8 (2004) Article DOI: 10.1021/jm030336u BindingDB Entry DOI: 10.7270/Q2JH3JFB | |||||||||||
More data for this Ligand-Target Pair |