Reaction Details Report a problem with these data
Target
Glucocorticoid receptor
Ligand
BDBM50167817
Substrate
n/a
Meas. Tech.
ChEMBL_305322 (CHEMBL833544)
IC50
10±n/a nM
Citation
Smith, CJ; Ali, A; Balkovec, JM; Graham, DW; Hammond, ML; Patel, GF; Rouen, GP; Smith, SK; Tata, JR; Einstein, M; Ge, L; Harris, GS; Kelly, TM; Mazur, P; Thompson, CM; Wang, CF; Williamson, JM; Miller, DK; Pandit, S; Santoro, JC; Sitlani, A; Yamin, TT; O'Neill, EA; Zaller, DM; Carballo-Jane, E; Forrest, MJ; Luell, S Novel ketal ligands for the glucocorticoid receptor: in vitro and in vivo activity. Bioorg Med Chem Lett 15:2926-31 (2005) [PubMed] Article
More Info.:
Target
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:
MDSKESLTPGREENPSSVLAQERGDVMDFYKTLRGGATVKVSASSPSLAVASQSDSKQRRLLVDFPKGSVSNAQQPDLSKAVSLSMGLYMGETETKVMGNDLGFPQQGQISLSSGETDLKLLEESIANLNRSTSVPENPKSSASTAVSAAPTEKEFPKTHSDVSSEQQHLKGQTGTNGGNVKLYTTDQSTFDILQDLEFSSGSPGKETNESPWRSDLLIDENCLLSPLAGEDDSFLLEGNSNEDCKPLILPDTKPKIKDNGDLVLSSPSNVTLPQVKTEKEDFIELCTPGVIKQEKLGTVYCQASFPGANIIGNKMSAISVHGVSTSGGQMYHYDMNTASLSQQQDQKPIFNVIPPIPVGSENWNRCQGSGDDNLTSLGTLNFPGRTVFSNGYSSPSMRPDVSSPPSSSSTATTGPPPKLCLVCSDEASGCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRYRKCLQAGMNLEARKTKKKIKGIQQATTGVSQETSENPGNKTIVPATLPQLTPTLVSLLEVIEPEVLYAGYDSSVPDSTWRIMTTLNMLGGRQVIAAVKWAKAIPGFRNLHLDDQMTLLQYSWMFLMAFALGWRSYRQSSANLLCFAPDLIINEQRMTLPCMYDQCKHMLYVSSELHRLQVSYEEYLCMKTLLLLSSVPKDGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVVENLLNYCFQTFLDKTMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQK
Inhibitor
Name:
BDBM50167817
Synonyms:
1-(4-fluorophenyl)-4a-methyl-4',5'-diphenyl-(4'R,4aS,5'R)-spiro[4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazole-5,2'-(dihydro[1,3]dioxolane)] | CHEMBL193798
Type:
Small organic molecule
Emp. Form.:
C32H29FN2O2
Mol. Mass.:
492.5833
SMILES:
C[C@]12Cc3cnn(c3C=C1CCCC21O[C@@H]([C@H](O1)c1ccccc1)c1ccccc1)-c1ccc(F)cc1 |c:9|