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Target
Glucocorticoid receptor
Ligand
BDBM50091045
Substrate
n/a
Meas. Tech.
ChEMBL_1499884 (CHEMBL3583216)
Ki
106±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:
BDBM50091045
Synonyms:
CHEMBL3582113
Type:
Small organic molecule
Emp. Form.:
C22H28N2O2
Mol. Mass.:
352.4699
SMILES:
Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCCc12 |(2.38,-4.74,;3.3,-3.91,;4.82,-4.24,;5.6,-2.89,;4.56,-1.74,;4.81,-.52,;3.16,-2.38,;1.81,-1.6,;.47,-2.38,;-.85,-1.6,;-.85,,;-2.21,.72,;-3.55,,;-4.62,-.63,;-3.5,1.24,;-3.55,-1.6,;-4.63,-2.23,;-2.21,-2.38,;-1.12,-2.98,;-3.3,-2.97,;.47,.72,;.47,2.27,;1.81,3.06,;3.17,2.27,;3.17,.72,;1.81,,)|
Structure:
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