Ki Summary

Reaction Details

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Target

Mineralocorticoid receptor

Ligand

BDBM50024802

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1438890 (CHEMBL3381815)

IC50

600±n/a nM

Citation

Hasui, T; Ohyabu, N; Ohra, T; Fuji, K; Sugimoto, T; Fujimoto, J; Asano, K; Oosawa, M; Shiotani, S; Nishigaki, N; Kusumoto, K; Matsui, H; Mizukami, A; Habuka, N; Sogabe, S; Endo, S; Ono, M; Siedem, CS; Tang, TP; Gauthier, C; De Meese, LA; Boyd, SA; Fukumoto, S Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists. Bioorg Med Chem22:5428-45 (2014) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Mineralocorticoid receptor

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

BDBM50024802

n/a

Name

BDBM50024802

Synonyms:

CHEMBL3337727

Type

Small organic molecule

Emp. Form.

C19H15F2N3O2

Mol. Mass.

355.3381

SMILES

Cc1nn(C)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1F |(36.03,-29.04,;37.44,-28.41,;38.77,-29.18,;39.91,-28.15,;41.42,-28.47,;39.28,-26.74,;37.76,-26.9,;36.72,-25.76,;37.2,-24.3,;36.17,-23.15,;34.67,-23.47,;33.64,-22.32,;32.13,-22.65,;31.65,-24.11,;30.15,-24.43,;32.68,-25.25,;34.19,-24.94,;35.22,-26.08,;40.05,-25.41,;39.28,-24.07,;40.05,-22.74,;41.59,-22.74,;42.36,-21.41,;42.36,-24.07,;41.59,-25.41,;42.36,-26.74,)|

Structure