Target
Glucocorticoid receptor
Ligand
BDBM50402496
Substrate
n/a
Meas. Tech.
ChEMBL_886649 (CHEMBL2216234)
Ki
9±n/a nM
Citation
 Hunt, HJRay, NCHynd, GSutton, JSajad, MO'Connor, EAhmed, SLockey, PDaly, SBuckley, GClark, RDRoe, RBlasey, CBelanoff, 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:
BDBM50402496
Synonyms:
CHEMBL2204045
Type:
Small organic molecule
Emp. Form.:
C24H26N2O3
Mol. Mass.:
390.4748
SMILES:
COc1ccccc1Cc1c([nH]c(=O)[nH]c1=O)[C@@H]1CC[C@@H](CC1)c1ccccc1 |r,wU:17.18,20.25,(12.38,-46.43,;11.04,-47.19,;9.72,-46.41,;9.72,-44.86,;8.37,-44.08,;7.03,-44.84,;7.03,-46.38,;8.36,-47.16,;8.36,-48.72,;7.02,-49.51,;7.02,-51.06,;5.68,-51.83,;4.35,-51.06,;3,-51.85,;4.35,-49.51,;5.7,-48.74,;5.7,-47.2,;8.34,-51.83,;8.34,-53.37,;9.65,-54.15,;10.99,-53.39,;10.99,-51.85,;9.67,-51.06,;12.32,-54.17,;13.64,-53.4,;14.97,-54.18,;14.97,-55.72,;13.63,-56.48,;12.32,-55.7,)|
Structure:
Search PDB for entries with ligand similarity: