Ki Summary

Reaction Details

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Target

Glucocorticoid receptor

Ligand

BDBM50338724

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_726913 (CHEMBL1686702)

16.1±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

BDBM50338724

n/a

Name

BDBM50338724

Synonyms:

(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl 4-cyanophenylcarbamate | CHEMBL1684352

Type

Small organic molecule

Emp. Form.

C28H24F2N4O2

Mol. Mass.

486.5126

SMILES

C[C@@H]1[C@@H](OC(=O)Nc2ccc(cc2)C#N)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(24.91,-7.32,;24.91,-8.86,;26.25,-9.64,;27.58,-8.87,;28.92,-9.64,;28.91,-11.18,;30.25,-8.88,;31.58,-9.65,;31.58,-11.19,;32.91,-11.96,;34.25,-11.2,;34.24,-9.65,;32.91,-8.88,;35.58,-11.97,;36.91,-12.74,;26.25,-11.18,;27.78,-11.18,;26.23,-12.72,;24.9,-11.95,;23.57,-11.18,;22.24,-11.95,;20.91,-11.18,;19.57,-11.95,;20.91,-9.64,;22.24,-8.87,;22.23,-7.33,;23.57,-9.63,;19.58,-8.87,;19.58,-7.33,;18.25,-6.56,;16.91,-7.33,;16.92,-8.89,;15.79,-9.92,;16.43,-11.31,;17.95,-11.14,;18.25,-9.64,)|

Structure