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Target
Glucocorticoid receptor
Ligand
BDBM50402502
Substrate
n/a
Meas. Tech.
ChEMBL_886649 (CHEMBL2216234)
Ki
4±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:
BDBM50402502
Synonyms:
CHEMBL2204038
Type:
Small organic molecule
Emp. Form.:
C23H24N2O2
Mol. Mass.:
360.4489
SMILES:
O=c1[nH]c([C@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccc2)c(=O)[nH]1 |r,wU:4.3,wD:7.10,(17.05,-11.54,;18.4,-10.75,;19.73,-11.51,;21.07,-10.74,;22.39,-11.52,;23.71,-10.75,;25.04,-11.53,;25.04,-13.07,;23.7,-13.83,;22.39,-13.06,;26.36,-13.85,;27.69,-13.09,;29.01,-13.86,;29.01,-15.41,;27.67,-16.17,;26.36,-15.39,;21.07,-9.19,;22.4,-8.41,;22.4,-6.85,;23.77,-6.09,;23.77,-4.55,;22.42,-3.76,;21.08,-4.52,;21.08,-6.06,;19.75,-8.43,;19.75,-6.89,;18.4,-9.2,)|
Structure:
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