Ki Summary

Reaction Details

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Target

Glucocorticoid receptor

Ligand

BDBM50228080

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_649973 (CHEMBL1219671)

IC50

6920±n/a nM

Citation

Meyers, MJ; Arhancet, GB; Hockerman, SL; Chen, X; Long, SA; Mahoney, MW; Rico, JR; Garland, DJ; Blinn, JR; Collins, JT; Yang, S; Huang, HC; McGee, KF; Wendling, JM; Dietz, JD; Payne, MA; Homer, BL; Heron, MI; Reitz, DB; Hu, X Discovery of (3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid (PF-3882845), an orally efficacious mineralocorticoid receptor (MR) antagonist for hypertension and nephropathy. J Med Chem53:5979-6002 (2010) [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

BDBM50228080

n/a

Name

BDBM50228080

Synonyms:

2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate | 2',15'-dimethyl-5,5'-dioxospiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate | 2',15'-dimethyl-5,5'-dioxospiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate(Spiranolactone) | Aldactone | CHEMBL1393 | S-(2'R,7R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl ethanethioate | SPIRONOLACTONE | Spiranolactone | cid_5833

Type

Small organic molecule

Emp. Form.

C24H32O4S

Mol. Mass.

416.573

SMILES

CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6|

Structure