Reaction Details Report a problem with these data
Target
Glucocorticoid receptor
Ligand
BDBM50440219
Substrate
n/a
Meas. Tech.
ChEMBL_982008 (CHEMBL2428212)
Ki
6.0±n/a nM
Citation
 Sheppeck, JE; Gilmore, JL; Xiao, HY; Dhar, TG; Nirschl, D; Doweyko, AM; Sack, JS; Corbett, MJ; Malley, MF; Gougoutas, JZ; Mckay, L; Cunningham, MD; Habte, SF; Dodd, JH; Nadler, SG; Somerville, JE; Barrish, JC Discovery of potent and selective nonsteroidal indazolyl amide glucocorticoid receptor agonists. Bioorg Med Chem Lett 23:5442-7 (2013) [PubMed]  Article 
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:
BDBM50440219
Synonyms:
CHEMBL2426665
Type:
Small organic molecule
Emp. Form.:
C27H23FN4OS
Mol. Mass.:
470.561
SMILES:
CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nccs1 |r|
Structure:
Search PDB for entries with ligand similarity: