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Target
Glucocorticoid receptor
Ligand
BDBM50402477
Substrate
n/a
Meas. Tech.
ChEMBL_886648 (CHEMBL2216233)
Ki
>3000±n/a nM
Citation
 Hunt, HJ; Ray, NC; Hynd, G; Sutton, J; Sajad, M; O'Connor, E; Ahmed, S; Lockey, P; Daly, S; Buckley, G; Clark, RD; Roe, R; Blasey, C; Belanoff, J Discovery of a novel non-steroidal GR antagonist with in vivo efficacy in the olanzapine-induced weight gain model in the rat. Bioorg Med Chem Lett 22:7376-80 (2012) [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:
BDBM50402477
Synonyms:
CHEMBL2204064
Type:
Small organic molecule
Emp. Form.:
C26H27F3N2O3
Mol. Mass.:
472.4994
SMILES:
OCCn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(c2)C(F)(F)F)c1=O |r,wU:8.7,11.14,(17.98,-27.26,;19.31,-28.03,;20.64,-27.26,;21.97,-28.03,;21.97,-29.58,;20.62,-30.37,;23.31,-30.35,;24.65,-29.58,;25.97,-30.35,;25.97,-31.89,;27.27,-32.66,;28.62,-31.91,;28.62,-30.36,;27.29,-29.58,;29.94,-32.69,;31.27,-31.92,;32.59,-32.7,;32.59,-34.24,;31.25,-35,;29.94,-34.22,;24.65,-28.03,;25.98,-27.24,;25.98,-25.68,;24.65,-24.89,;24.65,-23.35,;26,-22.59,;27.34,-23.38,;27.34,-24.92,;28.68,-22.61,;30.01,-23.39,;28.68,-21.07,;30,-21.83,;23.32,-27.26,;23.32,-25.72,)|
Structure:
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