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Found 65 hits Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor (MR)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238166
PNG
(US9394291, 7)
Show SMILES NC(=O)C[C@H]1COc2cc(Br)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C19H16BrN3O5/c20-11-2-3-14-16(6-11)27-8-12(7-17(21)24)23(14)19(26)10-1-4-15-13(5-10)22-18(25)9-28-15/h1-6,12H,7-9H2,(H2,21,24)(H,22,25)/t12-/m0/s1
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n/an/a 9.5n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238167
PNG
(US9394291, 8 | US9394291, 8a | US9394291, 8b)
Show SMILES CNC(=O)CC1COc2cc(Br)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18BrN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)
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n/an/a 10n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238163
PNG
(US9394291, 6 | US9394291, 6a | US9394291, 6b)
Show SMILES CNC(=O)CC1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18ClN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)
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n/an/a 13n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238161
PNG
(US9394291, 5a)
Show SMILES NC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C19H16ClN3O5/c20-11-2-3-14-16(6-11)27-8-12(7-17(21)24)23(14)19(26)10-1-4-15-13(5-10)22-18(25)9-28-15/h1-6,12H,7-9H2,(H2,21,24)(H,22,25)/t12-/m0/s1
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n/an/a 16n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50398062
PNG
(CHEMBL2181930)
Show SMILES CC1(C)OC(=S)Nc2ccc(NS(=O)(=O)c3cccs3)cc12
Show InChI InChI=1S/C14H14N2O3S3/c1-14(2)10-8-9(5-6-11(10)15-13(20)19-14)16-22(17,18)12-4-3-7-21-12/h3-8,16H,1-2H3,(H,15,20)
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n/an/a 21n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR in rat kidney cytosolic fraction measured after 18 hrs by liquid scintillation counting method


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50398062
PNG
(CHEMBL2181930)
Show SMILES CC1(C)OC(=S)Nc2ccc(NS(=O)(=O)c3cccs3)cc12
Show InChI InChI=1S/C14H14N2O3S3/c1-14(2)10-8-9(5-6-11(10)15-13(20)19-14)16-22(17,18)12-4-3-7-21-12/h3-8,16H,1-2H3,(H,15,20)
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from rat mineralocorticoid receptor after 18 hrs by liquid scintillation counter analysis


J Med Chem 55: 7957-66 (2012)


Article DOI: 10.1021/jm300806c
BindingDB Entry DOI: 10.7270/Q2QC04N3
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50235950
PNG
(CHEMBL4087750)
Show SMILES COc1cc(NC(=O)c2ccc(c(CCN(C)C3CC3)c2)-c2ccccc2OC(F)(F)F)ccc1S(N)(=O)=O
Show InChI InChI=1S/C27H28F3N3O5S/c1-33(20-9-10-20)14-13-17-15-18(7-11-21(17)22-5-3-4-6-23(22)38-27(28,29)30)26(34)32-19-8-12-25(39(31,35)36)24(16-19)37-2/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3,(H,32,34)(H2,31,35,36)
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n/an/a 22n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR in rat renal soluble fraction measured after 18 hrs in presence of glucocorticoid receptor antagonist RU-486...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50398060
PNG
(CHEMBL2181931)
Show SMILES COc1cc(ccc1S(N)(=O)=O)C(=O)Nc1ccc(c(CCN(C)C2CC2)c1)-c1ccccc1OC(F)(F)F
Show InChI InChI=1S/C27H28F3N3O5S/c1-33(20-9-10-20)14-13-17-15-19(8-11-21(17)22-5-3-4-6-23(22)38-27(28,29)30)32-26(34)18-7-12-25(39(31,35)36)24(16-18)37-2/h3-8,11-12,15-16,20H,9-10,13-14H2,1-2H3,(H,32,34)(H2,31,35,36)
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n/an/a 22n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Aldosterone C from rat mineralocorticoid receptor by liquid scintillation counter analysis


J Med Chem 55: 7957-66 (2012)


Article DOI: 10.1021/jm300806c
BindingDB Entry DOI: 10.7270/Q2QC04N3
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50235982
PNG
(CHEMBL4085281)
Show SMILES COc1cc(NC(=O)c2ccc(c(COC(C)=O)c2)-c2ccccc2C(F)(F)F)ccc1S(N)(=O)=O
Show InChI InChI=1S/C24H21F3N2O6S/c1-14(30)35-13-16-11-15(7-9-18(16)19-5-3-4-6-20(19)24(25,26)27)23(31)29-17-8-10-22(36(28,32)33)21(12-17)34-2/h3-12H,13H2,1-2H3,(H,29,31)(H2,28,32,33)
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n/an/a 31n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR in rat renal soluble fraction measured after 18 hrs in presence of glucocorticoid receptor antagonist RU-486...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238167
PNG
(US9394291, 8 | US9394291, 8a | US9394291, 8b)
Show SMILES CNC(=O)CC1COc2cc(Br)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18BrN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)
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n/an/a 40n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19214
PNG
((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)
Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
mineralocorticoid


(RAT)
BDBM19214
PNG
((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...)
Show SMILES C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
Show InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Aldo from mineralocorticoid receptor in Sprague-Dawley rat kidney after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238163
PNG
(US9394291, 6 | US9394291, 6a | US9394291, 6b)
Show SMILES CNC(=O)CC1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18ClN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)
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n/an/a 58n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50235983
PNG
(CHEMBL4095450)
Show SMILES COc1cc(NC(=O)c2ccc(c(CO)c2)-c2ccccc2OC(F)(F)F)ccc1S(N)(=O)=O
Show InChI InChI=1S/C22H19F3N2O6S/c1-32-19-11-15(7-9-20(19)34(26,30)31)27-21(29)13-6-8-16(14(10-13)12-28)17-4-2-3-5-18(17)33-22(23,24)25/h2-11,28H,12H2,1H3,(H,27,29)(H2,26,30,31)
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Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR in rat renal soluble fraction measured after 18 hrs in presence of glucocorticoid receptor antagonist RU-486...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50235951
PNG
(CHEMBL4066419)
Show SMILES COc1cc(NC(=O)c2ccc(c(CCN3CC(C)OC(C)C3)c2)-c2ccccc2OC(F)(F)F)ccc1S(N)(=O)=O
Show InChI InChI=1S/C29H32F3N3O6S/c1-18-16-35(17-19(2)40-18)13-12-20-14-21(8-10-23(20)24-6-4-5-7-25(24)41-29(30,31)32)28(36)34-22-9-11-27(42(33,37)38)26(15-22)39-3/h4-11,14-15,18-19H,12-13,16-17H2,1-3H3,(H,34,36)(H2,33,37,38)
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n/an/a 61n/an/an/an/an/an/a



Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR in rat renal soluble fraction measured after 18 hrs in presence of glucocorticoid receptor antagonist RU-486...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238163
PNG
(US9394291, 6 | US9394291, 6a | US9394291, 6b)
Show SMILES CNC(=O)CC1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18ClN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)
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AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50235954
PNG
(CHEMBL4075017)
Show SMILES COc1cc(NC(=O)c2ccc(c(CO)c2)-c2ccccc2-c2cccs2)ccc1S(N)(=O)=O
Show InChI InChI=1S/C25H22N2O5S2/c1-32-22-14-18(9-11-24(22)34(26,30)31)27-25(29)16-8-10-19(17(13-16)15-28)20-5-2-3-6-21(20)23-7-4-12-33-23/h2-14,28H,15H2,1H3,(H,27,29)(H2,26,30,31)
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Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR in rat renal soluble fraction measured after 18 hrs in presence of glucocorticoid receptor antagonist RU-486...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50235952
PNG
(CHEMBL4079872)
Show SMILES CCOCc1cc(NC(=O)c2ccc(c(OC)c2)S(N)(=O)=O)ccc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C24H23F3N2O5S/c1-3-34-14-16-12-17(9-10-18(16)19-6-4-5-7-20(19)24(25,26)27)29-23(30)15-8-11-22(35(28,31)32)21(13-15)33-2/h4-13H,3,14H2,1-2H3,(H,29,30)(H2,28,31,32)
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Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR in rat renal soluble fraction measured after 18 hrs in presence of glucocorticoid receptor antagonist RU-486...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238159
PNG
(US9394291, 4a)
Show SMILES CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1
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n/an/a 130n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238158
PNG
(US9394291, 4)
Show SMILES CNC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)
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AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238152
PNG
(US9394291, 2 | US9394291, 2a)
Show SMILES CNC(=O)CC1COc2ccccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H19N3O5/c1-21-18(24)9-13-10-27-17-5-3-2-4-15(17)23(13)20(26)12-6-7-16-14(8-12)22-19(25)11-28-16/h2-8,13H,9-11H2,1H3,(H,21,24)(H,22,25)
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n/an/a 230n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238159
PNG
(US9394291, 4a)
Show SMILES CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1
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n/an/a 240n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238155
PNG
(US9394291, 3 | US9394291, 3b)
Show SMILES NC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C19H16FN3O5/c20-11-2-3-14-16(6-11)27-8-12(7-17(21)24)23(14)19(26)10-1-4-15-13(5-10)22-18(25)9-28-15/h1-6,12H,7-9H2,(H2,21,24)(H,22,25)
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n/an/a 270n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238155
PNG
(US9394291, 3 | US9394291, 3b)
Show SMILES NC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C19H16FN3O5/c20-11-2-3-14-16(6-11)27-8-12(7-17(21)24)23(14)19(26)10-1-4-15-13(5-10)22-18(25)9-28-15/h1-6,12H,7-9H2,(H2,21,24)(H,22,25)
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n/an/a 480n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50004519
PNG
(CHEMBL2181929)
Show SMILES CC1(C)Oc2cc(NS(C)(=O)=O)ccc2N(C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C17H17FN2O4S/c1-17(2)16(21)20(13-7-4-11(18)5-8-13)14-9-6-12(10-15(14)24-17)19-25(3,22)23/h4-10,19H,1-3H3
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n/an/a<500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to rat mineralocorticoid receptor


J Med Chem 55: 7957-66 (2012)


Article DOI: 10.1021/jm300806c
BindingDB Entry DOI: 10.7270/Q2QC04N3
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50235979
PNG
(CHEMBL4086138)
Show SMILES Cc1cc(Cl)ccc1C1=CC(C)(C)Oc2cc(NS(C)(=O)=O)ccc12
Show InChI InChI=1S/C19H20ClNO3S/c1-12-9-13(20)5-7-15(12)17-11-19(2,3)24-18-10-14(6-8-16(17)18)21-25(4,22)23/h5-11,21H,1-4H3
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Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR in Sprague-Dawley rat kidney cytosolic fraction measured after overnight incubation by liquid scintillation ...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50235976
PNG
(CHEMBL4060780)
Show SMILES CC1(C)Oc2cc(NS(C)(=O)=O)ccc2C(=N1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClN2O3S/c1-17(2)19-16(11-4-6-12(18)7-5-11)14-9-8-13(10-15(14)23-17)20-24(3,21)22/h4-10,20H,1-3H3
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Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR in Sprague-Dawley rat kidney cytosolic fraction measured after overnight incubation by liquid scintillation ...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50235977
PNG
(CHEMBL4082663)
Show SMILES Cc1cc(NS(C)(=O)=O)cc2OC(C)(C)N=C(c3ccc(F)cc3)c12
Show InChI InChI=1S/C18H19FN2O3S/c1-11-9-14(21-25(4,22)23)10-15-16(11)17(20-18(2,3)24-15)12-5-7-13(19)8-6-12/h5-10,21H,1-4H3
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Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Inhibition of Ha-ras polymerase-chain reaction product


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50235978
PNG
(CHEMBL4064627)
Show SMILES CC1=C(c2ccc(F)cc2)c2ccc(NS(C)(=O)=O)cc2OC1(C)C
Show InChI InChI=1S/C19H20FNO3S/c1-12-18(13-5-7-14(20)8-6-13)16-10-9-15(21-25(4,22)23)11-17(16)24-19(12,2)3/h5-11,21H,1-4H3
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Instituto de Qu£mica M£dica (IQM-CSIC)

Curated by ChEMBL


Assay Description
Displacement of [3H]-Aldosterone from MR in Sprague-Dawley rat kidney cytosolic fraction measured after overnight incubation by liquid scintillation ...


J Med Chem 60: 2629-2650 (2017)

More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336275
PNG
(1-oxo-1,3,4,5,6,7,8,9-octahydrobenzo[c][1]oxacyclo...)
Show SMILES CC(=O)Oc1cc2CCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C18H22O6/c1-12(19)23-15-10-14-8-6-4-3-5-7-9-22-18(21)17(14)16(11-15)24-13(2)20/h10-11H,3-9H2,1-2H3
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n/an/a 580n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238158
PNG
(US9394291, 4)
Show SMILES CNC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)
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n/an/a 740n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336276
PNG
(1-oxo-1,3,4,5,6,7,8,9,10,11-decahydrobenzo[c][1]ox...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C20H26O6/c1-14(21)25-17-12-16-10-8-6-4-3-5-7-9-11-24-20(23)19(16)18(13-17)26-15(2)22/h12-13H,3-11H2,1-2H3
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Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336277
PNG
(1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-benzo[c][1]oxa...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C19H24O6/c1-13(20)24-16-11-15-9-7-5-3-4-6-8-10-23-19(22)18(15)17(12-16)25-14(2)21/h11-12H,3-10H2,1-2H3
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n/an/a 1.11E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238151
PNG
(US9394291, 1)
Show SMILES NC(=O)CC1COc2ccccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C19H17N3O5/c20-17(23)8-12-9-26-16-4-2-1-3-14(16)22(12)19(25)11-5-6-15-13(7-11)21-18(24)10-27-15/h1-7,12H,8-10H2,(H2,20,23)(H,21,24)
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n/an/a 1.40E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238167
PNG
(US9394291, 8 | US9394291, 8a | US9394291, 8b)
Show SMILES CNC(=O)CC1COc2cc(Br)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18BrN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)
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n/an/a 1.60E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238152
PNG
(US9394291, 2 | US9394291, 2a)
Show SMILES CNC(=O)CC1COc2ccccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H19N3O5/c1-21-18(24)9-13-10-27-17-5-3-2-4-15(17)23(13)20(26)12-6-7-16-14(8-12)22-19(25)11-28-16/h2-8,13H,9-11H2,1H3,(H,21,24)(H,22,25)
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n/an/a 1.80E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238163
PNG
(US9394291, 6 | US9394291, 6a | US9394291, 6b)
Show SMILES CNC(=O)CC1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C20H18ClN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)
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AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]Aldo from mineralocorticoid receptor in Sprague-Dawley rat kidney after 2 hrs by liquid scintillation counting


Bioorg Med Chem Lett 21: 6310-3 (2011)

Checked by Author
Article DOI: 10.1016/j.bmcl.2011.08.118
BindingDB Entry DOI: 10.7270/Q2JH3MKZ
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336278
PNG
((R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-b...)
Show SMILES C[C@@H]1CCCCCCCc2cc(OC(C)=O)cc(OC(C)=O)c2C(=O)O1
Show InChI InChI=1S/C20H26O6/c1-13-9-7-5-4-6-8-10-16-11-17(25-14(2)21)12-18(26-15(3)22)19(16)20(23)24-13/h11-13H,4-10H2,1-3H3/t13-/m1/s1
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n/an/a 2.78E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50336274
PNG
(1-oxo-3,4,5,6,7,8,9,10,11,12-decahydro-1H-benzo[c]...)
Show SMILES CC(=O)Oc1cc2CCCCCCCCCCOC(=O)c2c(OC(C)=O)c1
Show InChI InChI=1S/C21H28O6/c1-15(22)26-18-13-17-11-9-7-5-3-4-6-8-10-12-25-21(24)20(17)19(14-18)27-16(2)23/h13-14H,3-12H2,1-2H3
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n/an/a 2.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mineralocorticoid receptor-ligand binding domain expressed in AH109 yeast cells co expressing pGADT7-hSRC-1 by two hybrid ...


Bioorg Med Chem Lett 21: 1171-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.101
BindingDB Entry DOI: 10.7270/Q2X92BKM
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238151
PNG
(US9394291, 1)
Show SMILES NC(=O)CC1COc2ccccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C19H17N3O5/c20-17(23)8-12-9-26-16-4-2-1-3-14(16)22(12)19(25)11-5-6-15-13(7-11)21-18(24)10-27-15/h1-7,12H,8-10H2,(H2,20,23)(H,21,24)
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AstraZeneca AB

US Patent


Assay Description
Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238162
PNG
(US9394291, 5b)
Show SMILES NC(=O)C[C@@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C19H16ClN3O5/c20-11-2-3-14-16(6-11)27-8-12(7-17(21)24)23(14)19(26)10-1-4-15-13(5-10)22-18(25)9-28-15/h1-6,12H,7-9H2,(H2,21,24)(H,22,25)/t12-/m1/s1
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n/an/a 4.90E+3n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


US Patent US9394291 (2016)


BindingDB Entry DOI: 10.7270/Q2125RJS
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19191
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H25FN2O/c1-25-15-18-16-27-28(21-12-10-20(26)11-13-21)23(18)14-19(25)8-5-9-22(25)24(29)17-6-3-2-4-7-17/h2-4,6-7,10-14,16,22,24,29H,5,8-9,15H2,1H3/t22-,24+,25+/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19192
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N2O/c1-25-14-17-15-28-29(21-11-9-20(27)10-12-21)23(17)13-18(25)3-2-4-22(25)24(30)16-5-7-19(26)8-6-16/h5-13,15,22,24,30H,2-4,14H2,1H3/t22-,24+,25+/m1/s1
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n/an/a>5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19199
PNG
((R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES COc1cc(cc(F)c1F)[C@H](O)[C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1
Show InChI InChI=1S/C26H25F3N2O2/c1-26-13-16-14-30-31(19-8-6-18(27)7-9-19)22(16)12-17(26)4-3-5-20(26)25(32)15-10-21(28)24(29)23(11-15)33-2/h6-12,14,20,25,32H,3-5,13H2,1-2H3/t20-,25+,26+/m1/s1
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Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19200
PNG
((S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@H](O)c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H24F2N2O/c1-25-14-17-15-28-29(21-11-9-20(27)10-12-21)23(17)13-18(25)3-2-4-22(25)24(30)16-5-7-19(26)8-6-16/h5-13,15,22,24,30H,2-4,14H2,1H3/t22-,24-,25+/m1/s1
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Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19201
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@](O)([C@H]1CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2O/c1-25-15-17-16-29-30(22-12-10-21(28)11-13-22)23(17)14-19(25)4-3-5-24(25)26(2,31)18-6-8-20(27)9-7-18/h6-14,16,24,31H,3-5,15H2,1-2H3/t24-,25-,26+/m0/s1
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Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM19207
PNG
((1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC[C@@H]2[C@@H](O)CCC=C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN2O/c1-3-4-8-22(27)20-7-5-6-17-13-21-16(14-23(17,20)2)15-25-26(21)19-11-9-18(24)10-12-19/h3,9-13,15,20,22,27H,1,4-8,14H2,2H3/t20-,22+,23+/m1/s1
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Merck Research Laboratories



Assay Description
The IC50s were determined by incubating the receptors with radiolabeled aldosterone in the presence of full log scale concentrations (10-11 M to 10-6...


J Med Chem 47: 2441-52 (2004)


Article DOI: 10.1021/jm030585i
BindingDB Entry DOI: 10.7270/Q28W3BKZ
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM50338693
PNG
(2-methyl-2-((3aR,4S,9bS)-8-nitro-3a,4,5,9b-tetrahy...)
Show SMILES CC(C)(CO)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)[N+]([O-])=O
Show InChI InChI=1S/C16H20N2O3/c1-16(2,9-19)15-12-5-3-4-11(12)13-8-10(18(20)21)6-7-14(13)17-15/h3-4,6-8,11-12,15,17,19H,5,9H2,1-2H3/t11-,12+,15-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Kaken Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting


Bioorg Med Chem Lett 21: 1744-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.073
BindingDB Entry DOI: 10.7270/Q2474B55
More data for this
Ligand-Target Pair
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