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Target
Glucocorticoid receptor
Ligand
BDBM50091044
Substrate
n/a
Meas. Tech.
ChEMBL_1499886 (CHEMBL3583218)
IC50
77±n/a nM
Citation
 Eda, M; Kuroda, T; Kaneko, S; Aoki, Y; Yamashita, M; Okumura, C; Ikeda, Y; Ohbora, T; Sakaue, M; Koyama, N; Aritomo, K Synthesis and Biological Evaluation of Cyclopentaquinoline Derivatives as Nonsteroidal Glucocorticoid Receptor Antagonists. J Med Chem 58:4918-26 (2015) [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:
BDBM50091044
Synonyms:
CHEMBL3582114
Type:
Small organic molecule
Emp. Form.:
C19H22N2O4
Mol. Mass.:
342.389
SMILES:
Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2OCOc12 |(2.56,-4.56,;3.49,-3.74,;5.01,-4.07,;5.79,-2.72,;4.75,-1.57,;5,-.35,;3.35,-2.21,;2.02,-1.41,;.67,-2.13,;-.68,-1.41,;-.68,.15,;-2.02,.93,;-3.38,.15,;-4.45,-.49,;-3.35,1.39,;-3.38,-1.41,;-4.45,-2.05,;-2.02,-2.13,;-.92,-2.72,;-3.1,-2.73,;.67,.93,;.99,2.45,;2.55,2.62,;3.19,1.2,;2.02,.15,)|
Structure:
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