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Target
Glucocorticoid receptor
Ligand
BDBM50091041
Substrate
n/a
Meas. Tech.
ChEMBL_1499884 (CHEMBL3583216)
Ki
69±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:
BDBM50091041
Synonyms:
CHEMBL3582116
Type:
Small organic molecule
Emp. Form.:
C21H27N3O
Mol. Mass.:
337.4586
SMILES:
Cc1ncn(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(4.97,-.35,;4.72,-1.55,;5.75,-2.7,;4.97,-4.04,;3.46,-3.71,;2.54,-4.53,;3.33,-2.19,;2,-1.4,;.66,-2.11,;-.68,-1.4,;-.68,.15,;-2,.93,;-3.36,.15,;-4.42,-.49,;-3.33,1.38,;-3.36,-1.4,;-4.42,-2.03,;-2,-2.11,;-.91,-2.7,;-3.08,-2.71,;.66,.93,;.98,2.44,;2.53,2.61,;3.17,1.19,;2,.15,)|
Structure:
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