Reaction Details |
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Target | Mineralocorticoid receptor |
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Ligand | BDBM50510659 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1841951 (CHEMBL4342250) |
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IC50 | 22.0±n/a nM |
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Citation | Liu, K; Kurukulasuriya, R; Dykstra, K; DiMichelle, L; Liu, J; Vachal, P; Ogawa, A; DeVita, RJ; Shen, DM; Tan, Q; Chen, Y; Gauthier, D; Verras, A; Crespo, A; Zamlynny, B; Madwed, J; Hoek, M; Bateman, T; Yang, YF; Houk, KN; Krska, S; Cernak, T Development of indazole mineralocorticoid receptor antagonists and investigation into their selective late-stage functionalization. Bioorg Med Chem Lett29:1854-1858 (2019) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Mineralocorticoid receptor |
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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: | METKGYHSLPEGLDMERRWGQVSQAVERSSLGPTERTDENNYMEIVNVSCVSGAIPNNST
QGSSKEKQELLPCLQQDNNRPGILTSDIKTELESKELSATVAESMGLYMDSVRDADYSYE
QQNQQGSMSPAKIYQNVEQLVKFYKGNGHRPSTLSCVNTPLRSFMSDSGSSVNGGVMRAV
VKSPIMCHEKSPSVCSPLNMTSSVCSPAGINSVSSTTASFGSFPVHSPITQGTPLTCSPN
VENRGSRSHSPAHASNVGSPLSSPLSSMKSSISSPPSHCSVKSPVSSPNNVTLRSSVSSP
ANINNSRCSVSSPSNTNNRSTLSSPAASTVGSICSPVNNAFSYTASGTSAGSSTLRDVVP
SPDTQEKGAQEVPFPKTEEVESAISNGVTGQLNIVQYIKPEPDGAFSSSCLGGNSKINSD
SSFSVPIKQESTKHSCSGTSFKGNPTVNPFPFMDGSYFSFMDDKDYYSLSGILGPPVPGF
DGNCEGSGFPVGIKQEPDDGSYYPEASIPSSAIVGVNSGGQSFHYRIGAQGTISLSRSAR
DQSFQHLSSFPPVNTLVESWKSHGDLSSRRSDGYPVLEYIPENVSSSTLRSVSTGSSRPS
KICLVCGDEASGCHYGVVTCGSCKVFFKRAVEGQHNYLCAGRNDCIIDKIRRKNCPACRL
QKCLQAGMNLGARKSKKLGKLKGIHEEQPQQQQPPPPPPPPQSPEEGTTYIAPAKEPSVN
TALVPQLSTISRALTPSPVMVLENIEPEIVYAGYDSSKPDTAENLLSTLNRLAGKQMIQV
VKWAKVLPGFKNLPLEDQITLIQYSWMCLSSFALSWRSYKHTNSQFLYFAPDLVFNEEKM
HQSAMYELCQGMHQISLQFVRLQLTFEEYTIMKVLLLLSTIPKDGLKSQAAFEEMRTNYI
KELRKMVTKCPNNSGQSWQRFYQLTKLLDSMHDLVSDLLEFCFYTFRESHALKVEFPAML
VEIISDQLPKVESGNAKPLYFHRK
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BDBM50510659 |
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n/a |
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Name | BDBM50510659 |
Synonyms: | CHEMBL4473051 |
Type | Small organic molecule |
Emp. Form. | C20H21F4N3O3S |
Mol. Mass. | 459.458 |
SMILES | CC[C@](C(C)O)(c1ccc(cc1)C(F)(F)F)n1ncc2c(NS(C)(=O)=O)cc(F)cc12 |r| |
Structure |
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