Target
Glucocorticoid receptor
Ligand
BDBM18628
Substrate
BDBM18207
Meas. Tech.
Competitive Ligand Binding Assay, GR-Mediated Antagonist Activity Assay, and IL-6 Repression Assay
pH
7.5±n/a
Temperature
277.15±n/a K
Ki
1.4±0.2 nM
IC50
0.4±0.1 nM
EC50
0.3±0.1 nM
Comments
GRE activation antagonist mode efficacy is 97 +/- 0.5 %. It is a full GRE activation antagonist, which demonstrated reduced agonist activity in the TAT GRE activation assay in comparison to dexamethasone.
Citation
 Hudson, ARRoach, SLHiguchi, RIPhillips, DPBissonnette, RPLamph, WWYen, JLi, YAdams, MEValdez, LJVassar, ACuervo, CKallel, EAGharbaoui, CJMais, DEMiner, JNMarschke, KBRungta, DNegro-Vilar, AZhi, L Synthesis and characterization of nonsteroidal glucocorticoid receptor modulators for multiple myeloma. J Med Chem 50:4699-709 (2007) [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:
BDBM18628
Synonyms:
(18Z)-12-methoxy-3,5,5-trimethyl-18-{[3-(2,2,2-trifluoro-1-hydroxyethyl)thiophen-2-yl]methylidene}-17-oxa-6-azatetracyclo[8.8.0.0^{2,7}.0^{11,16}]octadeca-1(10),2(7),3,8,11,13,15-heptaen-13-ol | secondary alcohol, 15
Type:
Small organic molecule
Emp. Form.:
C27H24F3NO4S
Mol. Mass.:
515.544
SMILES:
COc1c(O)ccc2O\C(=C/c3sccc3C(O)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:32|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM18207
Synonyms:
(1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one | US10869929, Compound Dexamethasone | US11554172, Compound Dexamethasone | dexamethasone | dexamethasone (tetramethyl-rhodamine conjugated )
Type:
Steroid
Emp. Form.:
C22H29FO5
Mol. Mass.:
392.4611
SMILES:
[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
Structure:
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