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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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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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...


Citation and Details
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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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


Citation and Details
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


Citation and Details
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


Citation and Details
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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n/an/an/an/a>5.00E+6n/an/an/an/a



Ironwood Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at mineralocorticoid receptor in human A549 cells


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair