Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGlucocorticoid receptor
LigandBDBM50167803
Substrate/Competitorn/a
Meas. Tech.ChEMBL_305322 (CHEMBL833544)
IC50 28±n/a nM
Citation Smith, CJAli, ABalkovec, JMGraham, DWHammond, MLPatel, GFRouen, GPSmith, SKTata, JREinstein, MGe, LHarris, GSKelly, TMMazur, PThompson, CMWang, CFWilliamson, JMMiller, DKPandit, SSantoro, JCSitlani, AYamin, TTO'Neill, EAZaller, DMCarballo-Jane, EForrest, MJLuell, S Novel ketal ligands for the glucocorticoid receptor: in vitro and in vivo activity. Bioorg Med Chem Lett15:2926-31 (2005) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Glucocorticoid receptor
Name:Glucocorticoid receptor
Synonyms:GCR_HUMAN | GR | GRL | Glucocorticoid | Glucocorticoid receptor (GRFP) | NR3C1 | Nuclear receptor subfamily 3 group C member 1
Type:Enzyme
Mol. Mass.:85656.87
Organism:Homo sapiens (Human)
Description:P04150
Residue:777
Sequence:
MDSKESLTPGREENPSSVLAQERGDVMDFYKTLRGGATVKVSASSPSLAVASQSDSKQRR
LLVDFPKGSVSNAQQPDLSKAVSLSMGLYMGETETKVMGNDLGFPQQGQISLSSGETDLK
LLEESIANLNRSTSVPENPKSSASTAVSAAPTEKEFPKTHSDVSSEQQHLKGQTGTNGGN
VKLYTTDQSTFDILQDLEFSSGSPGKETNESPWRSDLLIDENCLLSPLAGEDDSFLLEGN
SNEDCKPLILPDTKPKIKDNGDLVLSSPSNVTLPQVKTEKEDFIELCTPGVIKQEKLGTV
YCQASFPGANIIGNKMSAISVHGVSTSGGQMYHYDMNTASLSQQQDQKPIFNVIPPIPVG
SENWNRCQGSGDDNLTSLGTLNFPGRTVFSNGYSSPSMRPDVSSPPSSSSTATTGPPPKL
CLVCSDEASGCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRYRK
CLQAGMNLEARKTKKKIKGIQQATTGVSQETSENPGNKTIVPATLPQLTPTLVSLLEVIE
PEVLYAGYDSSVPDSTWRIMTTLNMLGGRQVIAAVKWAKAIPGFRNLHLDDQMTLLQYSW
MFLMAFALGWRSYRQSSANLLCFAPDLIINEQRMTLPCMYDQCKHMLYVSSELHRLQVSY
EEYLCMKTLLLLSSVPKDGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTK
LLDSMHEVVENLLNYCFQTFLDKTMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50167803
n/a
NameBDBM50167803
Synonyms:1-(4-fluorophenyl)-4a,5',5'-trimethyl-(4aS)-spiro[1,4,4a,5,6,7-hexahydrocyclopenta[f]indazole-5,2'-(dihydro-4'H-[1,3]dioxane)] | CHEMBL364511
TypeSmall organic molecule
Emp. Form.C22H25FN2O2
Mol. Mass.368.4445
SMILESC[C@]12Cc3cnn(c3C=C1CCC21OCC(C)(C)CO1)-c1ccc(F)cc1 |c:9|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: