Reaction Details Report a problem with these data
Target
Mineralocorticoid receptor
Ligand
BDBM50228080
Substrate
n/a
Meas. Tech.
ChEMBL_1336857 (CHEMBL3241715)
IC50
11±n/a nM
Citation
Cox, JM; Chu, HD; Yang, C; Shen, HC; Wu, Z; 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 Mineralocorticoid receptor antagonists: identification of heterocyclic amide replacements in the oxazolidinedione series. Bioorg Med Chem Lett 24:1681-4 (2014) [PubMed] Article
More Info.:
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:
BDBM50228080
Synonyms:
2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate | 2',15'-dimethyl-5,5'-dioxospiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate | 2',15'-dimethyl-5,5'-dioxospiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate(Spiranolactone) | Aldactone | CHEMBL1393 | S-(2'R,7R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl ethanethioate | SPIRONOLACTONE | Spiranolactone | cid_5833
Type:
Small organic molecule
Emp. Form.:
C24H32O4S
Mol. Mass.:
416.573
SMILES:
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6|