Reaction Details Report a problem with these data
Target
Mineralocorticoid receptor
Ligand
BDBM50235970
Substrate
n/a
Meas. Tech.
ChEMBL_1658411 (CHEMBL4008023)
IC50
18±n/a nM
Citation
 Martín-Martínez, M; Pérez-Gordillo, FL; Álvarez de la Rosa, D; Rodríguez, Y; Gerona-Navarro, G; González-Muñiz, R; Zhou, MM Modulating Mineralocorticoid Receptor with Non-steroidal Antagonists. New Opportunities for the Development of Potent and Selective Ligands without Off-Target Side Effects. J Med Chem 60:2629-2650 (2017) [PubMed]  Article 
Target
Name:
Mineralocorticoid receptor
Synonyms:
MCR | MCR_HUMAN | MLR | MR | NR3C2 | Nuclear receptor subfamily 3 group C member 2
Type:
Enzyme
Mol. Mass.:
107076.42
Organism:
Homo sapiens (Human)
Description:
P08235
Residue:
984
Sequence:
METKGYHSLPEGLDMERRWGQVSQAVERSSLGPTERTDENNYMEIVNVSCVSGAIPNNSTQGSSKEKQELLPCLQQDNNRPGILTSDIKTELESKELSATVAESMGLYMDSVRDADYSYEQQNQQGSMSPAKIYQNVEQLVKFYKGNGHRPSTLSCVNTPLRSFMSDSGSSVNGGVMRAVVKSPIMCHEKSPSVCSPLNMTSSVCSPAGINSVSSTTASFGSFPVHSPITQGTPLTCSPNVENRGSRSHSPAHASNVGSPLSSPLSSMKSSISSPPSHCSVKSPVSSPNNVTLRSSVSSPANINNSRCSVSSPSNTNNRSTLSSPAASTVGSICSPVNNAFSYTASGTSAGSSTLRDVVPSPDTQEKGAQEVPFPKTEEVESAISNGVTGQLNIVQYIKPEPDGAFSSSCLGGNSKINSDSSFSVPIKQESTKHSCSGTSFKGNPTVNPFPFMDGSYFSFMDDKDYYSLSGILGPPVPGFDGNCEGSGFPVGIKQEPDDGSYYPEASIPSSAIVGVNSGGQSFHYRIGAQGTISLSRSARDQSFQHLSSFPPVNTLVESWKSHGDLSSRRSDGYPVLEYIPENVSSSTLRSVSTGSSRPSKICLVCGDEASGCHYGVVTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGIHEEQPQQQQPPPPPPPPQSPEEGTTYIAPAKEPSVNTALVPQLSTISRALTPSPVMVLENIEPEIVYAGYDSSKPDTAENLLSTLNRLAGKQMIQVVKWAKVLPGFKNLPLEDQITLIQYSWMCLSSFALSWRSYKHTNSQFLYFAPDLVFNEEKMHQSAMYELCQGMHQISLQFVRLQLTFEEYTIMKVLLLLSTIPKDGLKSQAAFEEMRTNYIKELRKMVTKCPNNSGQSWQRFYQLTKLLDSMHDLVSDLLEFCFYTFRESHALKVEFPAMLVEIISDQLPKVESGNAKPLYFHRK
  
Inhibitor
Name:
BDBM50235970
Synonyms:
CHEMBL4094464
Type:
Small organic molecule
Emp. Form.:
C25H25NO5
Mol. Mass.:
419.4697
SMILES:
COC(=O)c1c(C)nc(C)c(C(=O)CC2CCC2)c1-c1cccc2c1oc(C)cc2=O |(52.63,-36.51,;51.3,-37.29,;49.96,-36.52,;49.96,-34.98,;48.63,-37.3,;48.64,-38.85,;49.97,-39.62,;47.3,-39.62,;45.96,-38.85,;44.63,-39.62,;45.97,-37.3,;44.63,-36.53,;45.39,-35.2,;43.3,-37.3,;43.3,-38.84,;42.21,-39.93,;43.3,-41.02,;44.38,-39.93,;47.29,-36.53,;47.29,-34.99,;48.62,-34.22,;48.62,-32.69,;47.28,-31.92,;45.94,-32.71,;45.95,-34.24,;44.64,-35.01,;43.31,-34.26,;41.99,-35.05,;43.3,-32.73,;44.62,-31.95,;44.61,-30.41,)|
Structure:
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