Reaction Details Report a problem with these data
Target
Mineralocorticoid receptor
Ligand
BDBM50437610
Substrate
n/a
Meas. Tech.
ChEMBL_974220 (CHEMBL2411354)
IC50
190±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:
BDBM50437610
Synonyms:
CHEMBL2407854
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:6.14,1.0,19.22,wD:6.6,17.17,(48.57,-12.23,;49.2,-10.83,;48.3,-9.58,;48.79,-8.11,;50.26,-7.64,;47.54,-7.2,;46.3,-8.12,;45.52,-6.77,;46.28,-5.44,;47.83,-5.44,;48.6,-4.1,;47.82,-2.77,;46.27,-2.78,;45.52,-4.12,;44.76,-8.17,;43.95,-6.86,;44.04,-9.53,;42.5,-9.58,;41.38,-8.53,;40.33,-9.66,;41.46,-10.71,;38.8,-9.71,;37.98,-8.4,;36.44,-8.45,;35.72,-9.81,;36.54,-11.12,;38.08,-11.06,;46.79,-9.58,;45.89,-10.83,;50.74,-10.85,;51.49,-12.2,;53.03,-12.22,;53.82,-10.89,;53.06,-9.55,;51.52,-9.53,)|
Structure:
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