BindingDB

null

SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1

InChI Key InChIKey=XUKUURHRXDUEBC-KAYWLYCHSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 22164

Histone deacetylase 2(Homo sapiens (Human))
ACADEMIA SINICA; NATIONAL TAIWAN UNIVERSITY

US Patent

BDBM22164((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylca...)copy SMILEScopy InChI

IC50: 2.25E+4nMT: 2°CAssay Description:The HDAC activity was performed using the HDAC fluorescent activity assay kit (BIOMOL, Plymouth Meeting, Pa., USA) according to the manufacturer'...More data for this Ligand-Target Pair

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

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KEGG MMDB PC cid PC sid PDB Patents Similars

Details
BindingDB Entry DOI: 10.7270/Q2C24V9MUS Patent

Histone deacetylase 2(Homo sapiens (Human))
ACADEMIA SINICA; NATIONAL TAIWAN UNIVERSITY

US Patent

BDBM22164((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylca...)copy SMILEScopy InChI

IC50: 2.25E+4nMAssay Description:Inhibition of recombinant HDAC2 (unknown origin) after 10 mins by fluorimetric analysisMore data for this Ligand-Target Pair

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

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

Details Article
BindingDB Entry DOI: 10.7270/Q2542PXPPubMed

Targets 10 ▿
- 3-hydroxy-3-methylglutaryl-coenzyme A reductase 9
- Solute carrier organic anion transporter family member 1B1 4
- Histone deacetylase 6 2
- Histone deacetylase 2 2
- Histone deacetylase 1 2
- ATP-dependent translocase ABCB1 2
- Dipeptidyl peptidase 4 1
- Broad substrate specificity ATP-binding cassette transporter ABCG2 1
- Bile salt export pump 1
- Cytochrome P450 3A4 1
Publications 15 ▿
- J Med Chem 56: 3645-55 (2013) 4
- US Patent US9353061 (2016) 4
- Drug Metab Dispos 40: 1641-8 (2012) 3
- Pharm Res 18: 800-6 (2001) 2
- Bioorg Med Chem Lett 18: 479-84 (2008) 1
- Bioorg Med Chem Lett 21: 1206-13 (2011) 1
- Eur J Med Chem 127: 1035-1046 (2017) 1
- Bioorg Med Chem Lett 15: 1027-32 (2005) 1
- J Nat Prod 78: 1977-89 (2015) 1
- J Med Chem 61: 3609-3625 (2018) 1
- Bioorg Med Chem Lett 18: 1151-6 (2008) 1
- J Med Chem 62: 10005-10025 (2019) 1
- J Med Chem 51: 2722-33 (2008) 1
- Drug Metab Dispos 33: 537-46 (2005) 1
- J Pharmacol Exp Ther 314: 876-82 (2005) 1
Institutions 14 ▿
- [National Taiwan University, ACADEMIA SINICA; NATIONAL TAIWAN UNIVERSITY] 4
- [National Taiwan University, ACADEMIA SINICA; NATIONAL TAIWAN UNIVERSITY] 4
- [Bristol-Myers Squibb] 3
- [Chinese Academy of Sciences, Schering-Plough Research Institute] 2
- [Chinese Academy of Sciences, Schering-Plough Research Institute] 2
- [St. John's University, Boston University, GlaxoSmithKline, Pfizer Inc., University of Tokyo, Pfizer Global Research and Development, National Institute of Pharmaceutical Education and Research (NIPER), Bristol-Myers Squibb Company, University of Chinese Academy of Sciences] 1
- [St. John's University, Boston University, GlaxoSmithKline, Pfizer Inc., University of Tokyo, Pfizer Global Research and Development, National Institute of Pharmaceutical Education and Research (NIPER), Bristol-Myers Squibb Company, University of Chinese Academy of Sciences] 1
- [St. John's University, Boston University, GlaxoSmithKline, Pfizer Inc., University of Tokyo, Pfizer Global Research and Development, National Institute of Pharmaceutical Education and Research (NIPER), Bristol-Myers Squibb Company, University of Chinese Academy of Sciences] 1
- [St. John's University, Boston University, GlaxoSmithKline, Pfizer Inc., University of Tokyo, Pfizer Global Research and Development, National Institute of Pharmaceutical Education and Research (NIPER), Bristol-Myers Squibb Company, University of Chinese Academy of Sciences] 1
- [St. John's University, Boston University, GlaxoSmithKline, Pfizer Inc., University of Tokyo, Pfizer Global Research and Development, National Institute of Pharmaceutical Education and Research (NIPER), Bristol-Myers Squibb Company, University of Chinese Academy of Sciences] 1
- [St. John's University, Boston University, GlaxoSmithKline, Pfizer Inc., University of Tokyo, Pfizer Global Research and Development, National Institute of Pharmaceutical Education and Research (NIPER), Bristol-Myers Squibb Company, University of Chinese Academy of Sciences] 1
- [St. John's University, Boston University, GlaxoSmithKline, Pfizer Inc., University of Tokyo, Pfizer Global Research and Development, National Institute of Pharmaceutical Education and Research (NIPER), Bristol-Myers Squibb Company, University of Chinese Academy of Sciences] 1
- [St. John's University, Boston University, GlaxoSmithKline, Pfizer Inc., University of Tokyo, Pfizer Global Research and Development, National Institute of Pharmaceutical Education and Research (NIPER), Bristol-Myers Squibb Company, University of Chinese Academy of Sciences] 1
- [St. John's University, Boston University, GlaxoSmithKline, Pfizer Inc., University of Tokyo, Pfizer Global Research and Development, National Institute of Pharmaceutical Education and Research (NIPER), Bristol-Myers Squibb Company, University of Chinese Academy of Sciences] 1
Affinity: 2.5 to 3.1E+5 nM▿
- Ki 2
- IC50 23
- EC50 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1