Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetGlucocorticoid receptor
LigandBDBM50249105
Substrate/Competitorn/a
Meas. Tech.ChEMBL_499971 (CHEMBL1019341)
EC50>5000±n/a nM
Citation Yang, BVVaccaro, WDoweyko, AMDoweyko, LMHuynh, TTortolani, DNadler, SGMcKay, LSomerville, JHolloway, DAHabte, SWeinstein, DSBarrish, JC Discovery of novel dihydro-9,10-ethano-anthracene carboxamides as glucocorticoid receptor modulators. Bioorg Med Chem Lett19:2139-43 (2009) [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:
BDBM50249105
n/a
NameBDBM50249105
Synonyms:CHEMBL514185 | N-(2-hydroxy-4-nitrophenyl)-15-methyltetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9(14),10,12-hexaene-15-carboxamide | TCMDC-124076
TypeSmall organic molecule
Emp. Form.C24H20N2O4
Mol. Mass.400.4266
SMILESCC1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1ccc(cc1O)[N+]([O-])=O |TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(21.57,-.39,;22.91,-1.16,;23.42,-1.93,;23.43,-4.12,;21.56,-4.64,;20.22,-5.41,;18.88,-4.64,;18.89,-3.09,;20.21,-2.32,;21.52,-3.24,;22.91,-2.58,;24.45,-3.47,;25.72,-2.73,;27,-3.46,;27,-4.95,;25.72,-5.69,;24.44,-4.95,;23.67,.18,;22.88,1.51,;25.21,.2,;25.97,1.54,;25.19,2.86,;25.94,4.2,;27.49,4.22,;28.27,2.89,;27.52,1.55,;28.3,.22,;28.23,5.57,;29.78,5.59,;27.45,6.9,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: