Ki Summary

Reaction Details

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Target

Glucocorticoid receptor

Ligand

BDBM50338723

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_726913 (CHEMBL1686702)

12.2±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 Lett21:1658-62 (2011) [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

BDBM50338723

n/a

Name

BDBM50338723

Synonyms:

(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl benzo[d][1,3]dioxol-5-ylcarbamate | CHEMBL1684351

Type

Small organic molecule

Emp. Form.

C28H25F2N3O4

Mol. Mass.

505.5126

SMILES

C[C@@H]1[C@@H](OC(=O)Nc2ccc3OCOc3c2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(-.58,-6.62,;-.58,-8.16,;.76,-8.94,;2.1,-8.17,;3.43,-8.95,;3.42,-10.49,;4.76,-8.18,;6.1,-8.95,;6.09,-10.49,;7.42,-11.27,;8.76,-10.49,;10.22,-10.97,;11.13,-9.72,;10.22,-8.47,;8.76,-8.95,;7.42,-8.19,;.76,-10.49,;2.29,-10.48,;.75,-12.02,;-.58,-11.25,;-1.91,-10.48,;-3.24,-11.26,;-4.58,-10.49,;-5.91,-11.26,;-4.58,-8.94,;-3.25,-8.17,;-3.25,-6.63,;-1.91,-8.94,;-5.91,-8.17,;-5.9,-6.63,;-7.24,-5.86,;-8.57,-6.63,;-8.57,-8.19,;-9.69,-9.23,;-9.06,-10.62,;-7.54,-10.44,;-7.23,-8.94,)|

Structure