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Target
Glucocorticoid receptor
Ligand
BDBM50422693
Substrate
n/a
Meas. Tech.
ChEMBL_313641 (CHEMBL835785)
IC50
5.0±n/a nM
Citation
 Barker, M; Clackers, M; Demaine, DA; Humphreys, D; Johnston, MJ; Jones, HT; Pacquet, F; Pritchard, JM; Salter, M; Shanahan, SE; Skone, PA; Vinader, VM; Uings, I; McLay, IM; Macdonald, SJ Design and synthesis of new nonsteroidal glucocorticoid modulators through application of an"agreement docking" method. J Med Chem 48:4507-10 (2005) [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:
BDBM50422693
Synonyms:
CHEMBL433964 | RU-846
Type:
Small organic molecule
Emp. Form.:
C29H37NO2
Mol. Mass.:
431.6096
SMILES:
CC#C[C@]1(O)CCC2C3CCC4CC(=O)CCC4=C3C(C[C@]12C)c1ccc(cc1)N(C)C |c:18|
Structure:
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