Reaction Details Report a problem with these data
Target
Glucocorticoid receptor
Ligand
BDBM50340668
Substrate
n/a
Meas. Tech.
ChEMBL_739803 (CHEMBL1762863)
Ki
1.5±n/a nM
Citation
 Hudson, AR; Higuchi, RI; Roach, SL; Valdez, LJ; Adams, ME; Vassar, A; Rungta, D; Syka, PM; Mais, DE; Marschke, KB; Zhi, L Nonsteroidal 2,3-dihydroquinoline glucocorticoid receptor agonists with reduced PEPCK activation. Bioorg Med Chem Lett 21:1654-7 (2011) [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:
BDBM50340668
Synonyms:
CHEMBL1762207 | methyl 2-(5,7-difluoro-2,2-dimethyl-6-(3-methyl-1H-indol-7-yl)-2,3-dihydroquinolin-4(1H)-ylideneaminooxy)-2-methylpropanoate
Type:
Small organic molecule
Emp. Form.:
C25H27F2N3O3
Mol. Mass.:
455.497
SMILES:
COC(=O)C(C)(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(4.69,-42.49,;3.36,-43.25,;2.03,-42.48,;2.04,-40.94,;.7,-43.24,;-.63,-42.46,;.68,-41.7,;.69,-44.77,;-.65,-45.53,;-.66,-47.07,;.67,-47.85,;.66,-49.4,;1.98,-48.62,;1.98,-50.16,;-.68,-50.15,;-2.01,-49.38,;-3.33,-50.13,;-4.66,-49.36,;-5.99,-50.12,;-4.65,-47.82,;-3.32,-47.06,;-3.32,-45.52,;-1.99,-47.83,;-5.97,-47.05,;-5.97,-45.5,;-7.31,-44.73,;-8.64,-45.5,;-8.65,-47.04,;-9.8,-48.08,;-11.13,-47.3,;-9.17,-49.49,;-7.63,-49.33,;-7.31,-47.82,)|
Structure:
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