BindingDB

null

SMILES CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

InChI Key InChIKey=YPQLFJODEKMJEF-UHFFFAOYSA-N

PDB links: 8 PDB IDs match this monomer. 6 PDB IDs contain this monomer as substructures. 6 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 35909

Androgen receptor(Rattus norvegicus (Rat))
Sterling Winthrop Pharmaceuticals Research Division

Curated by ChEMBL

BDBM35909(2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-ph...)copy SMILEScopy InChI

Ki: 2.10E+3nMAssay Description:In vivo binding affinity for rat ventral prostate androgen receptor by displacement of [3H]R-1881More data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar

Purchase CHEMBL MCE
KEGG MMDB PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q2JH3MSNPubMed MMDB
PDB

3D Structure (crystal)

Targets 3 ▿
- Androgen receptor 32
- Protein LANA1 1
- Progesterone receptor 1
Publications 20 ▿
- Bioorg Med Chem Lett 15: 389-93 (2004) 3
- Bioorg Med Chem Lett 15: 271-6 (2004) 3
- J Med Chem 41: 623-39 (1998) 3
- Bioorg Med Chem Lett 17: 5573-6 (2007) 2
- ACS Med Chem Lett 4: 937-41 (2013) 2
- Bioorg Med Chem Lett 10: 411-4 (2000) 2
- Bioorg Med Chem 15: 174-85 (2006) 2
- Eur J Med Chem 102: 310-9 (2015) 2
- Bioorg Med Chem 16: 6799-812 (2008) 2
- Bioorg Med Chem 21: 1643-51 (2013) 2
- Bioorg Med Chem Lett 18: 1910-5 (2008) 2
- J Med Chem 38: 1158-73 (1995) 1
- US Patent US9682960 (2017) 1
- J Med Chem 55: 6316-27 (2012) 1
- ACS Chem Biol 4: 834-43 (2009) 1
- J Med Chem 35: 1663-70 (1992) 1
- J Med Chem 63: 10396-10411 (2020) 1
- J Nat Prod 72: 1944-8 (2009) 1
- Bioorg Med Chem 16: 8022-8 (2008) 1
- PubChem Bioassay (2010) 1
Institutions 18 ▿
- [Bristol-Myers Squibb Pharmaceutical Research Institute] 6
- [The University of Tokyo] 4
- [Ligand Pharmaceuticals, Inc.] 3
- [Ochanomizu University, Tokyo Medical and Dental University, Chugai Pharmaceutical Co., Ltd, Ligand Pharmaceuticals, Chugai Pharmaceutical Co. Ltd., Bristol-Myers Squibb Pharmaceutical Research and Development] 2
- [Ochanomizu University, Tokyo Medical and Dental University, Chugai Pharmaceutical Co., Ltd, Ligand Pharmaceuticals, Chugai Pharmaceutical Co. Ltd., Bristol-Myers Squibb Pharmaceutical Research and Development] 2
- [Ochanomizu University, Tokyo Medical and Dental University, Chugai Pharmaceutical Co., Ltd, Ligand Pharmaceuticals, Chugai Pharmaceutical Co. Ltd., Bristol-Myers Squibb Pharmaceutical Research and Development] 2
- [Ochanomizu University, Tokyo Medical and Dental University, Chugai Pharmaceutical Co., Ltd, Ligand Pharmaceuticals, Chugai Pharmaceutical Co. Ltd., Bristol-Myers Squibb Pharmaceutical Research and Development] 2
- [Ochanomizu University, Tokyo Medical and Dental University, Chugai Pharmaceutical Co., Ltd, Ligand Pharmaceuticals, Chugai Pharmaceutical Co. Ltd., Bristol-Myers Squibb Pharmaceutical Research and Development] 2
- [Ochanomizu University, Tokyo Medical and Dental University, Chugai Pharmaceutical Co., Ltd, Ligand Pharmaceuticals, Chugai Pharmaceutical Co. Ltd., Bristol-Myers Squibb Pharmaceutical Research and Development] 2
- [St. Jude Research Hospital, CHUL Research Center, Sterling Winthrop Pharmaceuticals Research Division, University of Eastern Finland, Tohoku Pharmaceutical University, ENDORECHERCHE, INC., Gifu Pharmaceutical University, Wyeth Research, Broad Institute] 1
- [St. Jude Research Hospital, CHUL Research Center, Sterling Winthrop Pharmaceuticals Research Division, University of Eastern Finland, Tohoku Pharmaceutical University, ENDORECHERCHE, INC., Gifu Pharmaceutical University, Wyeth Research, Broad Institute] 1
- [St. Jude Research Hospital, CHUL Research Center, Sterling Winthrop Pharmaceuticals Research Division, University of Eastern Finland, Tohoku Pharmaceutical University, ENDORECHERCHE, INC., Gifu Pharmaceutical University, Wyeth Research, Broad Institute] 1
- [St. Jude Research Hospital, CHUL Research Center, Sterling Winthrop Pharmaceuticals Research Division, University of Eastern Finland, Tohoku Pharmaceutical University, ENDORECHERCHE, INC., Gifu Pharmaceutical University, Wyeth Research, Broad Institute] 1
- [St. Jude Research Hospital, CHUL Research Center, Sterling Winthrop Pharmaceuticals Research Division, University of Eastern Finland, Tohoku Pharmaceutical University, ENDORECHERCHE, INC., Gifu Pharmaceutical University, Wyeth Research, Broad Institute] 1
- [St. Jude Research Hospital, CHUL Research Center, Sterling Winthrop Pharmaceuticals Research Division, University of Eastern Finland, Tohoku Pharmaceutical University, ENDORECHERCHE, INC., Gifu Pharmaceutical University, Wyeth Research, Broad Institute] 1
- [St. Jude Research Hospital, CHUL Research Center, Sterling Winthrop Pharmaceuticals Research Division, University of Eastern Finland, Tohoku Pharmaceutical University, ENDORECHERCHE, INC., Gifu Pharmaceutical University, Wyeth Research, Broad Institute] 1
- [St. Jude Research Hospital, CHUL Research Center, Sterling Winthrop Pharmaceuticals Research Division, University of Eastern Finland, Tohoku Pharmaceutical University, ENDORECHERCHE, INC., Gifu Pharmaceutical University, Wyeth Research, Broad Institute] 1
- [St. Jude Research Hospital, CHUL Research Center, Sterling Winthrop Pharmaceuticals Research Division, University of Eastern Finland, Tohoku Pharmaceutical University, ENDORECHERCHE, INC., Gifu Pharmaceutical University, Wyeth Research, Broad Institute] 1
Affinity: 2 to 7.5E+4 nM▿
- Ki 9
- IC50 24
- EC50 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1