Reaction Details Report a problem with these data
Target
Mineralocorticoid receptor
Ligand
BDBM50437611
Substrate
n/a
Meas. Tech.
ChEMBL_974220 (CHEMBL2411354)
IC50
650±n/a nM
Citation
 Yang, C; Shen, HC; Wu, Z; Chu, HD; Cox, JM; Balsells, J; Crespo, A; Brown, P; Zamlynny, B; Wiltsie, J; Clemas, J; Gibson, J; Contino, L; Lisnock, J; Zhou, G; Garcia-Calvo, M; Bateman, T; Xu, L; Tong, X; Crook, M; Sinclair, P Discovery of novel oxazolidinedione derivatives as potent and selective mineralocorticoid receptor antagonists. Bioorg Med Chem Lett 23:4388-92 (2013) [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:
BDBM50437611
Synonyms:
CHEMBL2407853
Type:
Small organic molecule
Emp. Form.:
C29H28N2O4
Mol. Mass.:
468.5436
SMILES:
C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)N[C@H]2C[C@H](C2)c2ccccc2)C1=O)c1ccccc1 |r,wU:6.14,1.0,17.17,19.22,wD:6.6,(53.09,-16.89,;53.72,-15.48,;52.82,-14.23,;53.31,-12.76,;54.78,-12.29,;52.06,-11.85,;50.82,-12.77,;50.04,-11.43,;50.8,-10.09,;52.35,-10.09,;53.11,-8.76,;52.34,-7.42,;50.79,-7.44,;50.03,-8.77,;49.28,-12.82,;48.46,-11.52,;48.55,-14.18,;47.01,-14.23,;45.97,-15.36,;44.85,-14.31,;45.9,-13.19,;43.31,-14.36,;42.5,-13.05,;40.96,-13.11,;40.23,-14.47,;41.06,-15.78,;42.59,-15.72,;51.3,-14.24,;50.4,-15.49,;55.26,-15.5,;56.01,-16.85,;57.55,-16.87,;58.34,-15.55,;57.57,-14.2,;56.04,-14.19,)|
Structure:
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