| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Glucocorticoid receptor |
|---|
| Ligand | BDBM50362455 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_797956 (CHEMBL1942833) |
|---|
| IC50 | 46.5±n/a nM |
|---|
| Citation |  Biju, P; McCormick, K; Aslanian, R; Berlin, M; Solomon, D; Wang, H; Lee, YJ; Bitar, R; Prelusky, D; McLeod, R; Jia, Y; Fernandez, X; Eckel, S; House, A; Lieber, G; Jimenez, J; Kelly, G; Chapman, R; Phillips, J; Anthes, J Steroidal C-21 heteroaryl thioethers (Part 2): discovery of orally bioavailable selective glucocorticoid receptor modulators (dissociated steroids). Bioorg Med Chem Lett22:1086-90 (2012) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Glucocorticoid receptor |
|---|
| 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: | MDSKESLTPGREENPSSVLAQERGDVMDFYKTLRGGATVKVSASSPSLAVASQSDSKQRR
LLVDFPKGSVSNAQQPDLSKAVSLSMGLYMGETETKVMGNDLGFPQQGQISLSSGETDLK
LLEESIANLNRSTSVPENPKSSASTAVSAAPTEKEFPKTHSDVSSEQQHLKGQTGTNGGN
VKLYTTDQSTFDILQDLEFSSGSPGKETNESPWRSDLLIDENCLLSPLAGEDDSFLLEGN
SNEDCKPLILPDTKPKIKDNGDLVLSSPSNVTLPQVKTEKEDFIELCTPGVIKQEKLGTV
YCQASFPGANIIGNKMSAISVHGVSTSGGQMYHYDMNTASLSQQQDQKPIFNVIPPIPVG
SENWNRCQGSGDDNLTSLGTLNFPGRTVFSNGYSSPSMRPDVSSPPSSSSTATTGPPPKL
CLVCSDEASGCHYGVLTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRYRK
CLQAGMNLEARKTKKKIKGIQQATTGVSQETSENPGNKTIVPATLPQLTPTLVSLLEVIE
PEVLYAGYDSSVPDSTWRIMTTLNMLGGRQVIAAVKWAKAIPGFRNLHLDDQMTLLQYSW
MFLMAFALGWRSYRQSSANLLCFAPDLIINEQRMTLPCMYDQCKHMLYVSSELHRLQVSY
EEYLCMKTLLLLSSVPKDGLKSQELFDEIRMTYIKELGKAIVKREGNSSQNWQRFYQLTK
LLDSMHEVVENLLNYCFQTFLDKTMSIEFPEMLAEIITNQIPKYSNGNIKKLLFHQK
|
|
|
|---|
| BDBM50362455 |
|---|
| n/a |
|---|
| Name | BDBM50362455 |
|---|
| Synonyms: | CHEMBL1940691 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C31H35NO4S |
|---|
| Mol. Mass. | 517.679 |
|---|
| SMILES | C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CSc1ccc2ccccc2n1 |r,c:11,t:7| |
|---|
| Structure | 
|
|---|
Search and Browse
