Reaction Details Report a problem with these data
Target
Glucocorticoid receptor
Ligand
BDBM50338737
Substrate
n/a
Meas. Tech.
ChEMBL_726913 (CHEMBL1686702)
Ki
6.2±n/a nM
Citation
 Roach, SL; Higuchi, RI; Hudson, AR; Vassar, A; Grant, VH; Lamer, R; Hooper, C; Rungta, D; Syka, PM; Mais, DE; Marschke, KB; Zhi, L Tetrahydroquinolin-3-yl carbamate glucocorticoid receptor agonists with reduced PEPCK activation. Bioorg Med Chem Lett 21:1658-62 (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:
BDBM50338737
Synonyms:
(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl phenylcarbamate | CHEMBL1684346
Type:
Small organic molecule
Emp. Form.:
C27H25F2N3O2
Mol. Mass.:
461.5031
SMILES:
C[C@@H]1[C@@H](OC(=O)Nc2ccccc2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(20.74,-34.66,;20.74,-36.2,;22.08,-36.98,;23.42,-36.22,;24.75,-36.99,;24.75,-38.53,;26.09,-36.22,;27.42,-37,;27.41,-38.54,;28.74,-39.31,;30.08,-38.54,;30.08,-37,;28.75,-36.23,;22.08,-38.53,;23.62,-38.53,;22.07,-40.07,;20.74,-39.3,;19.41,-38.53,;18.08,-39.3,;16.74,-38.53,;15.41,-39.3,;16.74,-36.99,;18.07,-36.22,;18.07,-34.68,;19.41,-36.98,;15.41,-36.22,;15.42,-34.68,;14.08,-33.91,;12.75,-34.68,;12.76,-36.23,;11.63,-37.27,;12.26,-38.66,;13.78,-38.49,;14.09,-36.99,)|
Structure:
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