Reaction Details |
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Target | Mineralocorticoid receptor |
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Ligand | BDBM50324199 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_649964 (CHEMBL1219662) |
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IC50 | 14±n/a nM |
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Citation | Meyers, MJ; Arhancet, GB; Hockerman, SL; Chen, X; Long, SA; Mahoney, MW; Rico, JR; Garland, DJ; Blinn, JR; Collins, JT; Yang, S; Huang, HC; McGee, KF; Wendling, JM; Dietz, JD; Payne, MA; Homer, BL; Heron, MI; Reitz, DB; Hu, X Discovery of (3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid (PF-3882845), an orally efficacious mineralocorticoid receptor (MR) antagonist for hypertension and nephropathy. J Med Chem53:5979-6002 (2010) [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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BDBM50324199 |
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n/a |
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Name | BDBM50324199 |
Synonyms: | 4-[(5R)-1-(3-Chloro-4-cyanophenyl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl]-2-methoxybenzoic Acid | CHEMBL1215130 |
Type | Small organic molecule |
Emp. Form. | C23H22ClN3O3 |
Mol. Mass. | 423.892 |
SMILES | COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12| |
Structure |
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