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Target
Glucocorticoid receptor
Ligand
BDBM50402479
Substrate
n/a
Meas. Tech.
ChEMBL_886649 (CHEMBL2216234)
Ki
9±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:
BDBM50402479
Synonyms:
CHEMBL2204062
Type:
Small organic molecule
Emp. Form.:
C28H35N3O2
Mol. Mass.:
445.5964
SMILES:
CN(C)CCn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2cccc(C)c2)c1=O |r,wU:10.9,13.16,(35.07,-8.79,;36.41,-8.02,;36.41,-6.48,;37.74,-8.79,;39.07,-8.02,;40.41,-8.79,;40.41,-10.34,;39.06,-11.13,;41.74,-11.11,;43.08,-10.34,;44.4,-11.11,;44.4,-12.65,;45.71,-13.42,;47.05,-12.66,;47.05,-11.12,;45.72,-10.34,;48.38,-13.44,;49.7,-12.68,;51.03,-13.45,;51.03,-15,;49.69,-15.76,;48.38,-14.98,;43.08,-8.78,;44.41,-8,;44.41,-6.44,;43.09,-5.65,;43.09,-4.11,;44.43,-3.35,;45.78,-4.14,;47.11,-3.37,;45.78,-5.68,;41.76,-8.02,;41.76,-6.48,)|
Structure:
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