Reaction Details Report a problem with these data
Target
Glucocorticoid receptor
Ligand
BDBM50265673
Substrate
n/a
Meas. Tech.
ChEMBL_1700185 (CHEMBL4051167)
Ki
>10000±n/a nM
Citation
 Hunt, HJ; Belanoff, JK; Walters, I; Gourdet, B; Thomas, J; Barton, N; Unitt, J; Phillips, T; Swift, D; Eaton, E Identification of the Clinical Candidate (R)-(1-(4-Fluorophenyl)-6-((1-methyl-1H-pyrazol-4-yl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolin-4a-yl)(4-(trifluoromethyl)pyridin-2-yl)methanone (CORT125134): A Selective Glucocorticoid Receptor (GR) Antagonist. J Med Chem 60:3405-3421 (2017) [PubMed]  Article 
Target
Name:
Glucocorticoid receptor
Synonyms:
Glucocorticoid receptor isoform alpha variant 1 | Glucocorticoid receptor isoform alpha variant 2 | NR3C1 | Nuclear receptor subfamily 3 group C member 1
Type:
PROTEIN
Mol. Mass.:
86027.98
Organism:
Canis lupus familiaris
Description:
ChEMBL_117571
Residue:
781
Sequence:
MDSKESLSPPSKEEISSSVLGRERGNVMDFYKTLRGGATVKVSASSPSLAAASQSDSKQQRLLVDFPKGSGSHAQQPDLSKAVSLSMGLYMGETETKVMGNDLGFPQQGQISLSSGETDFRLLEESIANLNRSTSVPENPKSSVSAVSAAPTEKEFAQTLSDVSSEQQHLKGQTGTNGGNVKLYTTDQSTFDVWRKKLQDLDFTSGSPEKEASESPWRSDLLIDENCLLSPLAGEDDPFLLEGNSNEDCKPLVLPDTKPKIKDNGDLILASPNSVPLPQVKTEKEDFIELCTPGVIKQEKLGPVYCQASFSGANIIGNKMSAISVHGVSTSGGQMYHYDMNTASLSQQQDQKPIFNVIPPIPVGSENWNRCQGSGDDNLASLGTLNFPGRSVFSNGYSSPGMRPDVSSPPSSSSAATGPPPKLCLVCSDEASGCHYGVLTCGSCKVFFKRAVEGRQHNYLCAGRNDCIIDKIRRKNCPACRYRKCLQAGMNLEARKTKKKIKGIQQATPGASQETSENPANKTIVPATLPQLTPTLVSLLEVIEPEVLYAGYDSSVPDSTWRIMTTLNMLGGRQVIAAVKWAKAIPGFRNLHLDDQMTLLQYSWMFLMAFALGWRSYRQSSGSMLCFAPDLIINEQRMTLPCMYDQCKHMLFVSSELQRLQVSYEEYLCMKTLLLLSSVPKEGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTKLLDSMHDVVENLLNFCFQTFLDKTMSIEFPEMLAEIITNQIPKYSSGNIKKLLFHQK
  
Inhibitor
Name:
BDBM50265673
Synonyms:
CHEMBL4068611
Type:
Small organic molecule
Emp. Form.:
C27H22F4N6O3S
Mol. Mass.:
586.561
SMILES:
Cn1cc(cn1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(ccn1)C(F)(F)F)cnn3-c1ccc(F)cc1 |r,t:13|
Structure:
Search PDB for entries with ligand similarity: