Reaction Details Report a problem with these data
Target
Progesterone receptor
Ligand
BDBM50338731
Substrate
n/a
Meas. Tech.
ChEMBL_727023 (CHEMBL1686883)
Ki
680±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 Lett 21:1658-62 (2011) [PubMed]  Article 
Target
Name:
Progesterone receptor
Synonyms:
NR3C3 | Nuclear receptor subfamily 3 group C member 3 | PGR | PR | PRGR_HUMAN | progesterone
Type:
Protein
Mol. Mass.:
98979.52
Organism:
Homo sapiens (Human)
Description:
P06401
Residue:
933
Sequence:
MTELKAKGPRAPHVAGGPPSPEVGSPLLCRPAAGPFPGSQTSDTLPEVSAIPISLDGLLFPRPCQGQDPSDEKTQDQQSLSDVEGAYSRAEATRGAGGSSSSPPEKDSGLLDSVLDTLLAPSGPGQSQPSPPACEVTSSWCLFGPELPEDPPAAPATQRVLSPLMSRSGCKVGDSSGTAAAHKVLPRGLSPARQLLLPASESPHWSGAPVKPSPQAAAVEVEEEDGSESEESAGPLLKGKPRALGGAAAGGGAAAVPPGAAAGGVALVPKEDSRFSAPRVALVEQDAPMAPGRSPLATTVMDFIHVPILPLNHALLAARTRQLLEDESYDGGAGAASAFAPPRSSPCASSTPVAVGDFPDCAYPPDAEPKDDAYPLYSDFQPPALKIKEEEEGAEASARSPRSYLVAGANPAAFPDFPLGPPPPLPPRATPSRPGEAAVTAAPASASVSSASSSGSTLECILYKAEGAPPQQGPFAPPPCKAPGASGCLLPRDGLPSTSASAAAAGAAPALYPALGLNGLPQLGYQAAVLKEGLPQVYPPYLNYLRPDSEASQSPQYSFESLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVVRALDAVALPQPVGVPNESQALSQRFTFSPGQDIQLIPPLINLLMSIEPDVIYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKESSFYSLCLTMWQIPQEFVKLQVSQEEFLCMKVLLLLNTIPLEGLRSQTQFEEMRSSYIRELIKAIGLRQKGVVSSSQRFYQLTKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK
  
Inhibitor
Name:
BDBM50338731
Synonyms:
(+/-)-(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl 3-acetylphenylcarbamate | CHEMBL1684359
Type:
Small organic molecule
Emp. Form.:
C29H27F2N3O3
Mol. Mass.:
503.5398
SMILES:
C[C@@H]1[C@@H](OC(=O)Nc2cccc(c2)C(C)=O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(.23,-44.76,;.23,-46.3,;1.57,-47.08,;2.9,-46.31,;4.24,-47.08,;4.23,-48.62,;5.57,-46.32,;6.9,-47.09,;6.9,-48.63,;8.23,-49.4,;9.57,-48.63,;9.56,-47.09,;8.23,-46.32,;10.9,-46.32,;12.23,-47.08,;10.9,-44.78,;1.57,-48.62,;3.1,-48.62,;1.56,-50.16,;.23,-49.39,;-1.11,-48.62,;-2.43,-49.39,;-3.77,-48.62,;-5.1,-49.39,;-3.77,-47.08,;-2.44,-46.31,;-2.44,-44.77,;-1.1,-47.07,;-5.1,-46.31,;-5.09,-44.77,;-6.43,-44,;-7.76,-44.77,;-7.76,-46.33,;-8.88,-47.36,;-8.25,-48.75,;-6.73,-48.58,;-6.42,-47.08,)|
Structure:
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