BDBM18695 (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-3-[(4-isothiocyanatophenyl)sulfanyl]-2-methylpropanamide::BMC146525 arylisothiocyanato derivative, S-35::Bicalutamide Analogue, (S)-7
SMILES: C[C@@](O)(CSc1ccc(cc1)N=C=S)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
InChI Key: InChIKey=BDJNCLBYFBBFQM-GOSISDBHSA-N
Data: 3 KI
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)) | BDBM18695 ((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 427 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSC-Scientific Computing Ltd. Curated by ChEMBL | Assay Description Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostate | J Med Chem 48: 917-25 (2005) Article DOI: 10.1021/jm0495879 BindingDB Entry DOI: 10.7270/Q2SJ1PBD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Rattus norvegicus (Rat)) | BDBM18695 ((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 430 | -8.07 | 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 43: 581-90 (2000) Article DOI: 10.1021/jm990027x BindingDB Entry DOI: 10.7270/Q2DR2SR2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Androgen receptor (Rattus norvegicus (Rat)) | BDBM18695 ((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydro...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 430 | -8.07 | n/a | n/a | n/a | n/a | n/a | 7.4 | 4 |
University of Tennessee Health Science Center | 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 14: 6525-38 (2006) Article DOI: 10.1016/j.bmc.2006.06.019 BindingDB Entry DOI: 10.7270/Q2WQ022N | |||||||||||
More data for this Ligand-Target Pair |