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Target
Glucocorticoid receptor
Ligand
BDBM50402482
Substrate
n/a
Meas. Tech.
ChEMBL_886648 (CHEMBL2216233)
Ki
44±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:
BDBM50402482
Synonyms:
CHEMBL2204059
Type:
Small organic molecule
Emp. Form.:
C23H25N3O2
Mol. Mass.:
375.4635
SMILES:
Cc1ccnc(Cc2c([nH]c(=O)[nH]c2=O)[C@@H]2CC[C@@H](CC2)c2ccccc2)c1 |r,wU:15.15,18.22,(31.62,-37.88,;30.28,-38.65,;28.94,-37.86,;27.59,-38.62,;27.59,-40.16,;28.92,-40.95,;28.92,-42.51,;27.59,-43.29,;27.59,-44.85,;26.24,-45.62,;24.91,-44.85,;23.56,-45.64,;24.91,-43.3,;26.26,-42.53,;26.26,-40.99,;28.9,-45.62,;28.9,-47.16,;30.21,-47.93,;31.55,-47.17,;31.55,-45.63,;30.23,-44.85,;32.88,-47.95,;34.21,-47.19,;35.53,-47.96,;35.53,-49.51,;34.19,-50.27,;32.88,-49.49,;30.28,-40.19,)|
Structure:
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