Reaction Details Report a problem with these data
Target
Mineralocorticoid receptor
Ligand
BDBM19199
Substrate
BDBM19214
IC50
>5000±n/a nM
Citation
 Ali, A; Thompson, CF; Balkovec, JM; Graham, DW; Hammond, ML; Quraishi, N; Tata, JR; Einstein, M; Ge, L; Harris, G; Kelly, TM; Mazur, P; Pandit, S; Santoro, J; Sitlani, A; Wang, C; Williamson, J; Miller, DK; Thompson, CM; Zaller, DM; Forrest, MJ; Carballo-Jane, E; Luell, S Novel N-arylpyrazolo[3,2-c]-based ligands for the glucocorticoid receptor: receptor binding and in vivo activity. J Med Chem 47:2441-52 (2004) [PubMed]  Article 
Target
Name:
Mineralocorticoid receptor
Synonyms:
MCR_RAT | MR | Mineralocorticoid Receptor (MR) | Mineralocorticoid receptor | Mlr | Nr3c2 | Nuclear receptor subfamily 3 group C member 2 | mineralocorticoid
Type:
Enzyme Catalytic Domain
Mol. Mass.:
106748.15
Organism:
RAT
Description:
mineralocorticoid 0 RAT::P22199
Residue:
981
Sequence:
METKGYHSLPEGLDMERRWSQVSQTLERSSLGPAERTTENNYMEIVNVSCVSGAIPNNSTQGSSKEKHELLPYIQQDNSRSGILPSDIKTELESKELSATVAESMGLYMDSVRDAEYTYDQQNQQGSLSPTKIYQNMEQLVKFYKENGHRSSTLSAMSRPLRSFMPDSAASMNGGALRAIVKSPIICHEKSSSVSSPLNMASSVCSPVGINSMSSSTTSFGSFPVHSPITQGTSLTCSPSVENRGSRSHSPTHASNVGSPLSSPLSSMKSPISSPPSHCSVKSPVSSPNNVPLRSSVSSPANLNNSRCSVSSPSNNTNNRSTLSSPTASTVGSIGSPISNAFSYATSGASAGAGAIQDVVPSPDTHEKGAHDVPFPKTEEVEKAISNGVTGPLNIVQYIKSEPDGAFSSSCLGGNSKISPSSPFSVPIKQESSKHSCSGASFKGNPTVNPFPFMDGSYFSFMDDKDYYSLSGILGPPVPGFDGSCEDSAFPVGIKQEPDDGSYYPEASIPSSAIVGVNSGGQSFHYRIGAQGTISLSRSPRDQSFQHLSSFPPVNTLVESWKPHGDLSSRRSDGYPVLEYIPENVSSSTLRSVSTGSSRPSKICLVCGDEASGCHYGVVTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGLHEEQPQQPPPPPPQSPEEGTTYIAPTKEPSVNSALVPQLTSITHALTPSPAMILENIEPETVYAGYDNSKPDTAESLLSTLNRLAAKQMIQVVKWAKVLPGFKNLPLEDQITLIQYSWMCLSSFALSWRSYKHTNSQLLYFAPDLVFNEEKMHQSAMYELCQGMRQISLQFVRLQLTFEEYSIMKVLLLLSTVPKDGLKSQAAFEEMRTNYIKELRKMVTKCPNSSGQSWQRFYQLTKLLDSMHDLVSDLLEFCFYTFRESQALKVEFPAMLVEIITDQLPKVESGNAKPLYFHRK
  
Inhibitor
Name:
BDBM19199
Synonyms:
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](3,4-difluoro-5-methoxyphenyl)methanol | CHEMBL313062 | N-Arylpyrazolo[3,2-c]-Based Ligand, 18
Type:
Small organic molecule
Emp. Form.:
C26H25F3N2O2
Mol. Mass.:
454.4841
SMILES:
[H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)c1cc(F)c(F)c(OC)c1 |r,t:5|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19214
Synonyms:
(1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-15-carbaldehyde | Aldosterone | US10188667, Aldosterone | [3H]Aldosterone
Type:
Steroid
Emp. Form.:
C21H28O5
Mol. Mass.:
360.444
SMILES:
[H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O |t:21|
Structure:
Search PDB for entries with ligand similarity: