Target
Glucocorticoid receptor
Ligand
BDBM50402487
Substrate
n/a
Meas. Tech.
ChEMBL_886648 (CHEMBL2216233)
Ki
>300±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:
BDBM50402487
Synonyms:
CHEMBL2204054
Type:
Small organic molecule
Emp. Form.:
C20H21N3O2S
Mol. Mass.:
367.465
SMILES:
O=c1[nH]c([C@@H]2CC[C@@H](CC2)c2ccccc2)c(Cc2nccs2)c(=O)[nH]1 |r,wU:4.3,7.10,(4.08,-27.58,;5.43,-26.79,;6.77,-27.56,;8.11,-26.79,;9.43,-27.56,;9.43,-29.1,;10.73,-29.88,;12.07,-29.12,;12.07,-27.58,;10.75,-26.79,;13.4,-29.9,;14.73,-29.13,;16.05,-29.91,;16.05,-31.45,;14.71,-32.22,;13.4,-31.44,;8.11,-25.24,;9.44,-24.45,;9.44,-22.89,;10.71,-21.96,;10.22,-20.47,;8.66,-20.47,;8.17,-21.96,;6.78,-24.47,;6.78,-22.93,;5.43,-25.24,)|
Structure:
Search PDB for entries with ligand similarity: