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Target
Glucocorticoid receptor
Ligand
BDBM50402491
Substrate
n/a
Meas. Tech.
ChEMBL_886648 (CHEMBL2216233)
Ki
337±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:
BDBM50402491
Synonyms:
CHEMBL2204050
Type:
Small organic molecule
Emp. Form.:
C22H23N3O2
Mol. Mass.:
361.4369
SMILES:
O=c1[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccn2)c(=O)[nH]1 |r,wU:4.3,7.10,(20.75,-9.97,;22.1,-9.18,;23.43,-9.94,;24.77,-9.17,;26.09,-9.95,;26.09,-11.49,;27.4,-12.26,;28.74,-11.5,;28.74,-9.96,;27.42,-9.18,;30.07,-12.28,;31.4,-11.52,;32.72,-12.29,;32.72,-13.84,;31.38,-14.6,;30.07,-13.82,;24.77,-7.62,;26.11,-6.84,;26.11,-5.27,;27.47,-4.52,;27.47,-2.98,;26.13,-2.19,;24.78,-2.95,;24.78,-4.49,;23.45,-6.85,;23.45,-5.32,;22.1,-7.63,)|
Structure:
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