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Compile Data Set for Download or QSAR

Found 36 hits of ec50 data for polymerid = 50001138,6202   
Target
(Institution)
LigandTarget
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))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/an/an/a 0.00200n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human mineralocorticoid receptor expressed in human A549 cells by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)

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


(Homo sapiens (Human))
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/an/an/a 0.180n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human MCR expressed in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 24: 5265-7 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
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/an/an/a 0.338n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity aft...


J Med Chem 53: 6947-53 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM19190
PNG
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Show SMILES C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
Show InChI InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor in human A549 cells


J Med Chem 53: 8241-51 (2010)

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


(Homo sapiens (Human))
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/an/an/a 3.80n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luc...


J Nat Prod 72: 1944-8 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM50442531
PNG
(11BETA-HYDROXYPROGESTERONE)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Show InChI InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
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n/an/an/an/a 50n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Transactivation of wild-type human recombinant mineralocorticoid receptor expressed in COS7 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 21: 6274-81 (2013)

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


(Homo sapiens (Human))
BDBM50442534
PNG
(CHEMBL2440896)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](C[C@]12C)NC[C@@H](N)C(O)=O
Show InChI InChI=1S/C24H36N2O4/c1-13(27)17-6-7-18-16-5-4-14-10-15(28)8-9-23(14,2)21(16)20(11-24(17,18)3)26-12-19(25)22(29)30/h10,16-21,26H,4-9,11-12,25H2,1-3H3,(H,29,30)/t16-,17+,18-,19+,20-,21+,23-,24+/m0/s1
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n/an/an/an/a 4.10E+3n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Transactivation of human recombinant mineralocorticoid receptor expressed in HEK-293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 21: 6274-81 (2013)

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


(Homo sapiens (Human))
BDBM50348401
PNG
(CHEMBL1801012)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H20N2O2S/c1-20(2,18(24)22-19-21-12-13-25-19)17(14-6-4-3-5-7-14)15-8-10-16(23)11-9-15/h3-13,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human mineralocorticoid receptor expressed in human A549 cells by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)

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


(Homo sapiens (Human))
BDBM50348415
PNG
(CHEMBL1800985)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1
Show InChI InChI=1S/C19H17N3O3S/c1-19(2,17(24)21-18-22-20-10-26-18)16-12-5-3-4-6-14(12)25-15-9-11(23)7-8-13(15)16/h3-10,16,23H,1-2H3,(H,21,22,24)/t16-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human mineralocorticoid receptor expressed in human A549 cells by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)

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


(Homo sapiens (Human))
BDBM50355740
PNG
(CHEMBL1911272)
Show SMILES CN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H24FN5O3S/c1-27(2,25(35)31-26-32-29-14-37-26)22-17-7-5-6-8-21(17)36-23-18(22)11-12-20(30-23)15-9-10-16(19(28)13-15)24(34)33(3)4/h5-14,22H,1-4H3,(H,31,32,35)/t22-/m1/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human mineralocorticoid receptor expressed in human A549 cells by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)

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


(Homo sapiens (Human))
BDBM50355730
PNG
(CHEMBL1911274)
Show SMILES CCN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C28H26FN5O3S/c1-5-34(4)25(35)17-11-10-16(14-20(17)29)21-13-12-19-23(18-8-6-7-9-22(18)37-24(19)31-21)28(2,3)26(36)32-27-33-30-15-38-27/h6-15,23H,5H2,1-4H3,(H,32,33,36)/t23-/m1/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human mineralocorticoid receptor expressed in human A549 cells by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)

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


(Homo sapiens (Human))
BDBM50355735
PNG
(CHEMBL1911270)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1
Show InChI InChI=1S/C27H25N5O3S/c1-27(2,25(34)30-26-31-28-15-36-26)22-18-7-5-6-8-21(18)35-23-19(22)13-14-20(29-23)16-9-11-17(12-10-16)24(33)32(3)4/h5-15,22H,1-4H3,(H,30,31,34)/t22-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at human mineralocorticoid receptor expressed in human A549 cells by fluorescence polarization assay


J Med Chem 54: 7318-33 (2011)

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


(Homo sapiens (Human))
BDBM50353386
PNG
(CHEMBL1829763 | US8592410, 88 | US8592410, Compara...)
Show SMILES C[C@H](N1CC[C@@](CCO)(OC1=O)c1ccc(F)cc1)c1ccc(cc1)-c1ccc(F)cc1F
Show InChI InChI=1S/C26H24F3NO3/c1-17(18-2-4-19(5-3-18)23-11-10-22(28)16-24(23)29)30-14-12-26(13-15-31,33-25(30)32)20-6-8-21(27)9-7-20/h2-11,16-17,31H,12-15H2,1H3/t17-,26-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Vitae Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to MR


J Med Chem 54: 6050-62 (2011)

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


(Homo sapiens (Human))
BDBM50048340
PNG
(CHEMBL3315062)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1
Show InChI InChI=1/C29H26FN5O4S/c1-29(2,27(37)33-28-34-31-16-40-28)23-19-4-3-5-21(30)24(19)39-25-20(23)10-11-22(32-25)17-6-8-18(9-7-17)26(36)35-12-14-38-15-13-35/h3-11,16,23H,12-15H2,1-2H3,(H,33,34,37)/t23-/s2
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor in human A549 cells


Bioorg Med Chem Lett 24: 3268-73 (2014)

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


(Homo sapiens (Human))
BDBM50298028
PNG
((S)-2-chloro-4-((1-methylpyrrolidin-3-yl)(2-(trifl...)
Show SMILES CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



GlaxoSmithKline Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at MR expressed in african green monkey CV-1 cells by luciferase reporter assay


Bioorg Med Chem Lett 19: 4777-80 (2009)

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


(Homo sapiens (Human))
BDBM50048339
PNG
(CHEMBL3315061)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O
Show InChI InChI=1/C28H27FN4O5/c1-28(2,26(35)32-27(30)36)22-18-4-3-5-20(29)23(18)38-24-19(22)10-11-21(31-24)16-6-8-17(9-7-16)25(34)33-12-14-37-15-13-33/h3-11,22H,12-15H2,1-2H3,(H3,30,32,35,36)/t22-/s2
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor in human A549 cells


Bioorg Med Chem Lett 24: 3268-73 (2014)

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


(Homo sapiens (Human))
BDBM50348414
PNG
(CHEMBL1800984)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H18N2O3S/c1-20(2,18(24)22-19-21-9-10-26-19)17-13-5-3-4-6-15(13)25-16-11-12(23)7-8-14(16)17/h3-11,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor in human A549 cells


J Med Chem 53: 8241-51 (2010)

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


(Homo sapiens (Human))
BDBM50348415
PNG
(CHEMBL1800985)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1
Show InChI InChI=1S/C19H17N3O3S/c1-19(2,17(24)21-18-22-20-10-26-18)16-12-5-3-4-6-14(12)25-15-9-11(23)7-8-13(15)16/h3-10,16,23H,1-2H3,(H,21,22,24)/t16-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor in human A549 cells


J Med Chem 53: 8241-51 (2010)

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


(Homo sapiens (Human))
BDBM50348411
PNG
(CHEMBL1800981)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nncs1
Show InChI InChI=1S/C19H18FN3O2S/c1-19(2,17(25)22-18-23-21-11-26-18)16(12-6-4-3-5-7-12)13-8-9-15(24)14(20)10-13/h3-11,16,24H,1-2H3,(H,22,23,25)/t16-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor in human A549 cells


J Med Chem 53: 8241-51 (2010)

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


(Homo sapiens (Human))
BDBM50348407
PNG
(CHEMBL1801006)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H19BrN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)/t17-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor in human A549 cells


J Med Chem 53: 8241-51 (2010)

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


(Homo sapiens (Human))
BDBM50348405
PNG
(CHEMBL1801008)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H19FN2O2S/c1-20(2,18(25)23-19-22-10-11-26-19)17(13-6-4-3-5-7-13)14-8-9-16(24)15(21)12-14/h3-12,17,24H,1-2H3,(H,22,23,25)/t17-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor in human A549 cells


J Med Chem 53: 8241-51 (2010)

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


(Homo sapiens (Human))
BDBM50348401
PNG
(CHEMBL1801012)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H20N2O2S/c1-20(2,18(24)22-19-21-12-13-25-19)17(14-6-4-3-5-7-14)15-8-10-16(23)11-9-15/h3-13,17,23H,1-2H3,(H,21,22,24)/t17-/m0/s1
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n/an/an/an/a>5.00E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor in human A549 cells


J Med Chem 53: 8241-51 (2010)

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


(Homo sapiens (Human))
BDBM50417616
PNG
(CHEMBL1645403)
Show SMILES COc1ncc(cc1-c1ccc(cc1)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C(F)(F)F)C#N
Show InChI InChI=1S/C20H18F3N5O3S/c1-12(27-32(29,30)17-11-28(2)26-18(17)20(21,22)23)14-4-6-15(7-5-14)16-8-13(9-24)10-25-19(16)31-3/h4-8,10-12,27H,1-3H3/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories (MSD)

Curated by ChEMBL


Assay Description
Antagonist activity at human MR ligand binding domain transfected in CHO cells co-transfected with MMTV-luciferase gene assessed as inhibition of cor...


Bioorg Med Chem Lett 21: 137-40 (2010)

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


(Homo sapiens (Human))
BDBM50323524
PNG
(4-(((6-((3-(2,6-dichlorophenyl)-5-isopropylisoxazo...)
Show SMILES CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C28H24Cl2F3N3O4/c1-15(2)25-18(24(35-40-25)23-19(29)5-4-6-20(23)30)14-39-22-12-11-21(26(34-22)28(31,32)33)36(3)13-16-7-9-17(10-8-16)27(37)38/h4-12,15H,13-14H2,1-3H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)

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


(Homo sapiens (Human))
BDBM50321176
PNG
(CHEMBL1163598 | rac-3-(4-Nitrophenylamino)-3-(3-fl...)
Show SMILES Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1
Show InChI InChI=1S/C22H19FN2O3/c1-15-5-7-16(8-6-15)22(26)14-21(17-3-2-4-18(23)13-17)24-19-9-11-20(12-10-19)25(27)28/h2-13,21,24H,14H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human mineralocorticoid receptor expressed in african green monkey CV1 cells co-transfected with MMTV-Luc after 24 hrs by lucifer...


Bioorg Med Chem 18: 4255-68 (2010)

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


(Homo sapiens (Human))
BDBM50412519
PNG
(CHEMBL455662)
Show SMILES CCN(C[C@](O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C23H21Cl2F4N5O3/c1-2-33(21(36)18-16(24)4-3-5-17(18)25)12-22(37,23(27,28)29)11-31-20(35)15-10-32-34(19(15)30)14-8-6-13(26)7-9-14/h3-10,37H,2,11-12,30H2,1H3,(H,31,35)/t22-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor


Bioorg Med Chem Lett 18: 6097-9 (2008)

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


(Homo sapiens (Human))
BDBM50415792
PNG
(CHEMBL1089743)
Show SMILES COc1cccc(c1)-c1ccccc1CNC(=O)c1cnc2n(C)nc(C)c2c1Cl
Show InChI InChI=1S/C23H21ClN4O2/c1-14-20-21(24)19(13-25-22(20)28(2)27-14)23(29)26-12-16-7-4-5-10-18(16)15-8-6-9-17(11-15)30-3/h4-11,13H,12H2,1-3H3,(H,26,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in african green monkey CV1 cells


Bioorg Med Chem Lett 20: 2340-3 (2010)

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


(Homo sapiens (Human))
BDBM50415794
PNG
(CHEMBL1093602 | GSK-325971A)
Show SMILES CCn1ncc2c(Cl)c(cnc12)C(=O)NCc1ccc(C)cc1C
Show InChI InChI=1S/C18H19ClN4O/c1-4-23-17-14(10-22-23)16(19)15(9-20-17)18(24)21-8-13-6-5-11(2)7-12(13)3/h5-7,9-10H,4,8H2,1-3H3,(H,21,24)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in african green monkey CV1 cells


Bioorg Med Chem Lett 20: 2340-3 (2010)

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


(Homo sapiens (Human))
BDBM50415796
PNG
(CHEMBL1089350)
Show SMILES CCc1nn(C)c2ncc(C(=O)NCC3Cc4ccccc4C3)c(Cl)c12
Show InChI InChI=1S/C20H21ClN4O/c1-3-16-17-18(21)15(11-22-19(17)25(2)24-16)20(26)23-10-12-8-13-6-4-5-7-14(13)9-12/h4-7,11-12H,3,8-10H2,1-2H3,(H,23,26)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in african green monkey CV1 cells


Bioorg Med Chem Lett 20: 2340-3 (2010)

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


(Homo sapiens (Human))
BDBM50323530
PNG
(3-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-4-2-5-17(12-15)27(37)38)21-10-11-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-8-9-16)23-19(29)6-3-7-20(23)30/h2-7,10-12,16H,8-9,13-14H2,1H3,(H,37,38)
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Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)

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


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human mineralocorticoid receptor expressed in african green monkey CV1 cells co-transfected with MMTV-Luc after 24 hrs by lucifer...


Bioorg Med Chem 18: 4255-68 (2010)

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


(Homo sapiens (Human))
BDBM50323533
PNG
(4-(((6-((5-cyclopropyl-3-(2,6-dichlorophenyl)isoxa...)
Show SMILES CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F
Show InChI InChI=1S/C28H22Cl2F3N3O4/c1-36(13-15-5-7-17(8-6-15)27(37)38)21-11-12-22(34-26(21)28(31,32)33)39-14-18-24(35-40-25(18)16-9-10-16)23-19(29)3-2-4-20(23)30/h2-8,11-12,16H,9-10,13-14H2,1H3,(H,37,38)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor-LBD expressed in HEK293 cells assessed as Gal4-DBD interaction by cellular mammalian one hybrid assay


Bioorg Med Chem Lett 20: 4911-7 (2010)

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


(Homo sapiens (Human))
BDBM50442531
PNG
(11BETA-HYDROXYPROGESTERONE)
Show SMILES CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
Show InChI InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3/t15-,16+,17-,18-,19+,20-,21+/m0/s1
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n/an/an/an/a 1.40E+4n/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Transactivation of human recombinant mineralocorticoid receptor expressed in HEK-293 cells after 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 21: 6274-81 (2013)

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


(Homo sapiens (Human))
BDBM50415790
PNG
(CHEMBL1093774 | GSK-1564023A)
Show SMILES Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3n(C)nc(C)c3c2Cl)cc1
Show InChI InChI=1S/C21H20ClN5O2/c1-11-18-19(22)16(10-23-20(18)27(4)25-11)21(28)24-9-14-5-7-15(8-6-14)17-12(2)26-29-13(17)3/h5-8,10H,9H2,1-4H3,(H,24,28)
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n/an/an/an/a>2.00E+4n/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at human mineralocorticoid receptor expressed in african green monkey CV1 cells


Bioorg Med Chem Lett 20: 2340-3 (2010)

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


(Homo sapiens (Human))
BDBM50440243
PNG
(CHEMBL2426662)
Show SMILES CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H22FN5OS/c1-26(2,24(33)30-25-31-28-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-29-32(22)21-11-9-20(27)10-12-21/h3-16,23H,1-2H3,(H,30,31,33)/t23-/m0/s1
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Ironwood Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor in human A549 cells


Bioorg Med Chem Lett 23: 5442-7 (2013)

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


(Homo sapiens (Human))
BDBM50440242
PNG
(CHEMBL2426663)
Show SMILES CC(C)([C@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1
Show InChI InChI=1S/C26H22FN5OS/c1-26(2,24(33)30-25-31-28-16-34-25)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-29-32(22)21-11-9-20(27)10-12-21/h3-16,23H,1-2H3,(H,30,31,33)/t23-/m1/s1
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Ironwood Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor in human A549 cells


Bioorg Med Chem Lett 23: 5442-7 (2013)

More data for this
Ligand-Target Pair