Reaction Details Report a problem with these data
Target
Glucocorticoid receptor
Ligand
BDBM50402481
Substrate
n/a
Meas. Tech.
ChEMBL_886648 (CHEMBL2216233)
Ki
57±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:
BDBM50402481
Synonyms:
CHEMBL2204060
Type:
Small organic molecule
Emp. Form.:
C24H26N2O2
Mol. Mass.:
374.4754
SMILES:
Cn1c(=O)[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2ccccc2)c1=O |r,wU:6.5,9.12,(4.04,-8.25,;5.37,-9.02,;5.37,-10.57,;4.02,-11.36,;6.7,-11.34,;8.04,-10.57,;9.36,-11.34,;9.36,-12.88,;10.67,-13.65,;12.01,-12.89,;12.01,-11.35,;10.68,-10.57,;13.33,-13.67,;14.66,-12.91,;15.98,-13.68,;15.98,-15.23,;14.64,-15.99,;13.33,-15.21,;8.04,-9.01,;9.37,-8.23,;9.37,-6.67,;10.74,-5.91,;10.74,-4.37,;9.39,-3.59,;8.05,-4.34,;8.05,-5.88,;6.72,-8.25,;6.72,-6.71,)|
Structure:
Search PDB for entries with ligand similarity: