Reaction Details Report a problem with these data
Target
Glucocorticoid receptor
Ligand
BDBM50113778
Substrate
n/a
Meas. Tech.
ChEMBL_71395 (CHEMBL681747)
Ki
>10000±n/a nM
Citation
 Morgan, BP; Swick, AG; Hargrove, DM; LaFlamme, JA; Moynihan, MS; Carroll, RS; Martin, KA; Lee, E; Decosta, D; Bordner, J Discovery of potent, nonsteroidal, and highly selective glucocorticoid receptor antagonists. J Med Chem 45:2417-24 (2002) [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:
Human
Description:
P04150
Residue:
777
Sequence:
MDSKESLTPGREENPSSVLAQERGDVMDFYKTLRGGATVKVSASSPSLAVASQSDSKQRRLLVDFPKGSVSNAQQPDLSKAVSLSMGLYMGETETKVMGNDLGFPQQGQISLSSGETDLKLLEESIANLNRSTSVPENPKSSASTAVSAAPTEKEFPKTHSDVSSEQQHLKGQTGTNGGNVKLYTTDQSTFDILQDLEFSSGSPGKETNESPWRSDLLIDENCLLSPLAGEDDSFLLEGNSNEDCKPLILPDTKPKIKDNGDLVLSSPSNVTLPQVKTEKEDFIELCTPGVIKQEKLGTVYCQASFPGANIIGNKMSAISVHGVSTSGGQMYHYDMNTASLSQQQDQKPIFNVIPPIPVGSENWNRCQGSGDDNLTSLGTLNFPGRTVFSNGYSSPSMRPDVSSPPSSSSTATTGPPPKLCLVCSDEASGCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRYRKCLQAGMNLEARKTKKKIKGIQQATTGVSQETSENPGNKTIVPATLPQLTPTLVSLLEVIEPEVLYAGYDSSVPDSTWRIMTTLNMLGGRQVIAAVKWAKAIPGFRNLHLDDQMTLLQYSWMFLMAFALGWRSYRQSSANLLCFAPDLIINEQRMTLPCMYDQCKHMLYVSSELHRLQVSYEEYLCMKTLLLLSSVPKDGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHEVVENLLNYCFQTFLDKTMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQK
  
Inhibitor
Name:
BDBM50113778
Synonyms:
(S)-4a-Benzyl-7-methoxy-4,4a,9,10-tetrahydro-3H-phenanthren-2-one | CHEMBL82307
Type:
Small organic molecule
Emp. Form.:
C22H22O2
Mol. Mass.:
318.4089
SMILES:
COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1 |t:9|
Structure:
Search PDB for entries with ligand similarity: