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Found 1087 hits Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor (MR)' AND taxid = 9606   
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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0.290n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells


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


(Homo sapiens (Human))
BDBM50228078
PNG
((S)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethy...)
Show SMILES C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F
Show InChI InChI=1S/C20H20F2N2O2S/c1-20(12-6-7-12,15-9-8-13(21)10-17(15)22)16-11-23-19-14(16)4-3-5-18(19)24-27(2,25)26/h3-5,8-12,23-24H,6-7H2,1-2H3/t20-/m1/s1
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0.319n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expressed in HEK293 cells


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


(Homo sapiens (Human))
BDBM50448166
PNG
(CHEMBL3120319)
Show SMILES C\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C23H21NO3S/c1-16(17-9-7-10-19(14-17)24-28(2,25)26)23-20-11-4-3-8-18(20)15-27-22-13-6-5-12-21(22)23/h3-14,24H,15H2,1-2H3/b23-16+
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0.342n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells


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


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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0.360n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells


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


(Homo sapiens (Human))
BDBM50398065
PNG
(CHEMBL2181925)
Show SMILES Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3n([C@H]4C[C@H]5COCCN5C4)c(=O)[nH]c3c2)c1
Show InChI InChI=1S/C29H26FN3O3/c30-20-6-7-24-25(23-4-2-1-3-19(23)16-36-28(24)13-20)11-18-5-8-27-26(12-18)31-29(34)33(27)21-14-22-17-35-10-9-32(22)15-21/h1-8,11-13,21-22H,9-10,14-17H2,(H,31,34)/b25-11+/t21-,22-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor overexpressed in HEK293 cells by microbeta counting assay


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


(Homo sapiens (Human))
BDBM50228078
PNG
((S)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethy...)
Show SMILES C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F
Show InChI InChI=1S/C20H20F2N2O2S/c1-20(12-6-7-12,15-9-8-13(21)10-17(15)22)16-11-23-19-14(16)4-3-5-18(19)24-27(2,25)26/h3-5,8-12,23-24H,6-7H2,1-2H3/t20-/m1/s1
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0.494n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50367916
PNG
(METHYLTRIENOLONE | Metribolone | R-1881)
Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
Show InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
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0.540n/an/an/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM50228079
PNG
((R)-N-(3-(1-cyclopropyl-1-(4-fluorophenyl)ethyl)-1...)
Show SMILES C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m1/s1
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0.640n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expressed in HEK293 cells


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


(Homo sapiens (Human))
BDBM50448167
PNG
(CHEMBL3120318)
Show SMILES CC\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C24H23NO3S/c1-3-20(17-10-8-11-19(15-17)25-29(2,26)27)24-21-12-5-4-9-18(21)16-28-23-14-7-6-13-22(23)24/h4-15,25H,3,16H2,1-2H3/b24-20+
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0.967n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells


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


(Homo sapiens (Human))
BDBM50228076
PNG
((R)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethy...)
Show SMILES C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F
Show InChI InChI=1S/C20H20F2N2O2S/c1-20(12-6-7-12,15-9-8-13(21)10-17(15)22)16-11-23-19-14(16)4-3-5-18(19)24-27(2,25)26/h3-5,8-12,23-24H,6-7H2,1-2H3/t20-/m0/s1
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1.51n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expressed in HEK293 cells


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


(Homo sapiens (Human))
BDBM50228079
PNG
((R)-N-(3-(1-cyclopropyl-1-(4-fluorophenyl)ethyl)-1...)
Show SMILES C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m1/s1
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1.56n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50089636
PNG
(CHEMBL3578271)
Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1
Show InChI InChI=1/C25H19ClFN3O3/c1-15(17-7-10-19(27)11-8-17)30-23(31)25(33-24(30)32,14-16-5-3-2-4-6-16)22-28-20-12-9-18(26)13-21(20)29-22/h2-13,15H,14H2,1H3,(H,28,29)/t15-,25-/s2
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2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin)


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


(Homo sapiens (Human))
BDBM50110735
PNG
(CHEMBL3605932)
Show SMILES CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H13ClN2O2S/c1-21(19,20)18-14-7-3-6-12-13(9-17-15(12)14)10-4-2-5-11(16)8-10/h2-9,17-18H,1H3
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2.10n/an/an/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competit...


J Med Chem 58: 6607-18 (2015)

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


(Homo sapiens (Human))
BDBM50228076
PNG
((R)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethy...)
Show SMILES C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F
Show InChI InChI=1S/C20H20F2N2O2S/c1-20(12-6-7-12,15-9-8-13(21)10-17(15)22)16-11-23-19-14(16)4-3-5-18(19)24-27(2,25)26/h3-5,8-12,23-24H,6-7H2,1-2H3/t20-/m0/s1
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2.25n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50228080
PNG
(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1
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2.32n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50448165
PNG
(CHEMBL3120320)
Show SMILES CS(=O)(=O)Nc1cccc(C=C2c3ccccc3CCc3ccccc23)c1
Show InChI InChI=1S/C23H21NO2S/c1-27(25,26)24-20-10-6-7-17(15-20)16-23-21-11-4-2-8-18(21)13-14-19-9-3-5-12-22(19)23/h2-12,15-16,24H,13-14H2,1H3
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2.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells


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


(Homo sapiens (Human))
BDBM50448168
PNG
(CHEMBL3120317)
Show SMILES CC\C(c1cccc(NS(C)(=O)=O)c1)=C1/c2ccccc2OCc2cccc(OC)c12
Show InChI InChI=1S/C25H25NO4S/c1-4-20(17-9-7-11-19(15-17)26-31(3,27)28)25-21-12-5-6-13-22(21)30-16-18-10-8-14-23(29-2)24(18)25/h5-15,26H,4,16H2,1-3H3/b25-20-
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6.10n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells


Citation and Details
More data for this
Ligand-Target Pair
Mineralocorticoid Receptor (MR)


(Homo sapiens (Human))
BDBM18207
PNG
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)
Show SMILES C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1
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7.20 -43.2n/an/an/an/an/a7.54



Ligand Pharmaceuticals Inc.



Assay Description
The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, I...


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


(Homo sapiens (Human))
BDBM50228081
PNG
((S)-N-(3-(1-cyclopropyl-1-(4-fluorophenyl)ethyl)-1...)
Show SMILES C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m0/s1
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7.5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human mineralocorticoid receptor


Citation and Details
More data for this
Ligand-Target Pair
Mineralocorticoid Receptor (MR)


(Homo sapiens (Human))
BDBM18617
PNG
((18Z)-12-methoxy-18-{[3-(methoxymethyl)thiophen-2-...)
Show SMILES COCc1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
Show InChI InChI=1S/C27H27NO4S/c1-15-13-27(2,3)28-18-7-6-17-24(23(15)18)21(12-22-16(14-30-4)10-11-33-22)32-20-9-8-19(29)26(31-5)25(17)20/h6-13,28-29H,14H2,1-5H3/b21-12-
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10 -42.4n/an/an/an/an/a7.54



Ligand Pharmaceuticals Inc.



Assay Description
The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, I...


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


(Homo sapiens (Human))
BDBM50334048
PNG
((-)-5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl...)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C21H23ClN2/c1-12-10-16(15-7-5-6-14-8-9-23-20(14)15)18(22)17-13(2)11-21(3,4)24-19(12)17/h5-10,13,23-24H,11H2,1-4H3
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21n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50334048
PNG
((-)-5-chloro-6-(1H-indol-7-yl)-2,2,4,8-tetramethyl...)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12
Show InChI InChI=1S/C21H23ClN2/c1-12-10-16(15-7-5-6-14-8-9-23-20(14)15)18(22)17-13(2)11-21(3,4)24-19(12)17/h5-10,13,23-24H,11H2,1-4H3
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21n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

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))
BDBM18622
PNG
((18Z)-18-({3-[(1E)-1-(hydroxyimino)ethyl]thiophen-...)
Show SMILES COc1c(O)ccc2OC(=Cc3sccc3C(C)N=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C27H26N2O4S/c1-14-13-27(3,4)28-18-7-6-17-24(23(14)18)21(12-22-16(10-11-34-22)15(2)29-31)33-20-9-8-19(30)26(32-5)25(17)20/h6-13,15,28,30H,1-5H3
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21 -40.7n/an/an/an/an/a7.54



Ligand Pharmaceuticals Inc.



Assay Description
The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, I...


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


(Homo sapiens (Human))
BDBM50110736
PNG
(CHEMBL3605933)
Show SMILES COc1ccccc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
Show InChI InChI=1S/C16H16N2O3S/c1-21-15-9-4-3-6-11(15)13-10-17-16-12(13)7-5-8-14(16)18-22(2,19)20/h3-10,17-18H,1-2H3
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27n/an/an/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competit...


J Med Chem 58: 6607-18 (2015)

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


(Homo sapiens (Human))
BDBM50377350
PNG
(CHEMBL257152)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1ccc(F)c2cc[nH]c12
Show InChI InChI=1S/C21H22ClFN2/c1-11-9-15(13-5-6-16(23)14-7-8-24-20(13)14)18(22)17-12(2)10-21(3,4)25-19(11)17/h5-9,12,24-25H,10H2,1-4H3
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32n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at mineralocorticoid receptor


Citation and Details
More data for this
Ligand-Target Pair
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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37n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for mineralocorticoid receptor


J Med Chem 44: 2879-85 (2001)

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


(Homo sapiens (Human))
BDBM21725
PNG
((1S,2R,10R,11S,14Z,15S)-14-ethylidene-2,15-dimethy...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/t15-,17+,18+,20+,21-/m1/s1
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37n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50110743
PNG
(CHEMBL3605924)
Show SMILES COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3cc(F)ccc3OC)c2c1
Show InChI InChI=1S/C18H19FN2O4S/c1-10-17(13-7-11(19)5-6-16(13)25-3)14-8-12(24-2)9-15(18(14)20-10)21-26(4,22)23/h5-9,20-21H,1-4H3
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38n/an/an/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competit...


J Med Chem 58: 6607-18 (2015)

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


(Homo sapiens (Human))
BDBM50226465
PNG
(CHEMBL402063 | E-guggulsterone | pregna-4,17(20)-c...)
Show SMILES CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Show InChI InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/t15-,17+,18+,20+,21-/m1/s1
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39n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration against Mineralocorticoid receptor


Citation and Details
More data for this
Ligand-Target Pair
Mineralocorticoid Receptor (MR)


(Homo sapiens (Human))
BDBM18626
PNG
((18Z)-12-methoxy-3,5,5-trimethyl-18-({3-[(2E)-pent...)
Show SMILES CC\C=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
Show InChI InChI=1S/C30H31NO3S/c1-7-8-17(2)19-13-14-35-25(19)15-24-27-20(28-23(34-24)12-11-22(32)29(28)33-6)9-10-21-26(27)18(3)16-30(4,5)31-21/h8-16,31-32H,7H2,1-6H3/b17-8+,24-15-
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42 -39.1n/an/an/an/an/a7.54



Ligand Pharmaceuticals Inc.



Assay Description
The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, I...


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


(Homo sapiens (Human))
BDBM50110733
PNG
(CHEMBL3605929)
Show SMILES COc1cc(F)ccc1-c1c(C)[nH]c2c(NS(C)(=O)=O)cc(F)cc12
Show InChI InChI=1S/C17H16F2N2O3S/c1-9-16(12-5-4-10(18)8-15(12)24-2)13-6-11(19)7-14(17(13)20-9)21-25(3,22)23/h4-8,20-21H,1-3H3
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45n/an/an/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competit...


J Med Chem 58: 6607-18 (2015)

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


(Homo sapiens (Human))
BDBM18623
PNG
((18Z)-12-methoxy-18-({3-[(1E)-1-(methoxyimino)ethy...)
Show SMILES CO\N=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12
Show InChI InChI=1S/C28H28N2O4S/c1-15-14-28(3,4)29-19-8-7-18-25(24(15)19)22(13-23-17(11-12-35-23)16(2)30-33-6)34-21-10-9-20(31)27(32-5)26(18)21/h7-14,29,31H,1-6H3/b22-13-,30-16+
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48 -38.8n/an/an/an/an/a7.54



Ligand Pharmaceuticals Inc.



Assay Description
The procedure for the cross reactivity receptor binding assays was using baculovirus-expressed receptors. After correcting for nonspecific binding, I...


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


(Homo sapiens (Human))
BDBM50151068
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[3-({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C54H75NO7/c1-7-54(61)24-22-43-40-16-12-34-27-37(56)15-17-39(34)49(40)41(31-52(43,54)4)33-10-13-36(14-11-33)55(6)25-8-26-62-38-21-23-51(3)35(28-38)29-46(57)50-44-19-18-42(32(2)9-20-48(59)60)53(44,5)47(58)30-45(50)51/h1,10-11,13-14,27,32,35,38,40-47,50,57-58,61H,8-9,12,15-26,28-31H2,2-6H3,(H,59,60)/t32-,35+,38?,40+,41-,42-,43+,44+,45+,46-,47+,50+,51+,52+,53-,54+/m1/s1
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80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50336937
PNG
(3-[(4-methoxyphenyl)phenylmethyl]indole | CHEMBL16...)
Show SMILES COc1ccc(cc1)C(c1c[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H19NO/c1-24-18-13-11-17(12-14-18)22(16-7-3-2-4-8-16)20-15-23-21-10-6-5-9-19(20)21/h2-15,22-23H,1H3
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86.8n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expressed in HEK293 cells


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


(Homo sapiens (Human))
BDBM50443329
PNG
(CHEMBL3086027)
Show SMILES Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
Show InChI InChI=1S/C18H17F2N3O2S/c1-12-11-23(13(2)22-12)16-6-3-14(4-7-16)10-21-26(24,25)18-9-15(19)5-8-17(18)20/h3-9,11,21H,10H2,1-2H3
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113n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from GST-tagged human mineralocorticoid receptor ligand binding domain after 4 hrs by liquid scintillation counting


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


(Homo sapiens (Human))
BDBM50228077
PNG
(CHEMBL237122 | epierenone)
Show SMILES COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2[C@@H]3O[C@@H]3[C@@]3(C)C(CC[C@@]33CCC(=O)O3)C12
Show InChI InChI=1S/C24H30O6/c1-22-7-4-13(25)10-12(22)11-14(21(27)28-3)17-15-5-8-24(9-6-16(26)30-24)23(15,2)20-19(29-20)18(17)22/h10,14-15,17-20H,4-9,11H2,1-3H3/t14-,15?,17?,18?,19+,20+,22+,23-,24-/m1/s1
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124n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50336933
PNG
(CHEMBL1672541 | N-(3-(4-cyano-3-methylphenyl)-1-is...)
Show SMILES CC(C)n1cc(-c2ccc(C#N)c(C)c2)c2ccc(NS(C)(=O)=O)cc12
Show InChI InChI=1S/C20H21N3O2S/c1-13(2)23-12-19(15-5-6-16(11-21)14(3)9-15)18-8-7-17(10-20(18)23)22-26(4,24)25/h5-10,12-13,22H,1-4H3
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126n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expressed in HEK293 cells


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


(Homo sapiens (Human))
BDBM50151059
PNG
(2-[(4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-[2-...)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C55H78N2O9S/c1-7-55(62)23-21-44-41-15-11-35-28-38(58)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)57(6)25-26-66-39-20-22-52(3)36(29-39)30-47(59)51-45-18-17-43(54(45,5)48(60)31-46(51)52)33(2)8-19-49(61)56-24-27-67(63,64)65/h1,9-10,12-13,28,33,36,39,41-48,51,59-60,62H,8,11,14-27,29-32H2,2-6H3,(H,56,61)(H,63,64,65)/t33-,36+,39?,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/m1/s1
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140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50377338
PNG
(CHEMBL429842)
Show SMILES CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cc(F)c(F)c2cc[nH]c12
Show InChI InChI=1S/C21H21ClF2N2/c1-10-7-13(14-8-15(23)18(24)12-5-6-25-20(12)14)17(22)16-11(2)9-21(3,4)26-19(10)16/h5-8,11,25-26H,9H2,1-4H3
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145n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50376852
PNG
(CHEMBL259820 | LGD-5552)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(C)c3F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
Show InChI InChI=1S/C28H26FNO3/c1-15-7-6-8-17(26(15)29)13-22-24-18(25-21(33-22)12-11-20(31)27(25)32-5)9-10-19-23(24)16(2)14-28(3,4)30-19/h6-14,30-31H,1-5H3/b22-13-
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149n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant mineralocorticoid receptor expressed in SF9 cells


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


(Homo sapiens (Human))
BDBM50410188
PNG
(CHEMBL2096708)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C55H77NO8/c1-7-55(62)23-21-44-41-15-11-35-28-38(57)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)56(6)24-25-63-26-27-64-39-20-22-52(3)36(29-39)30-47(58)51-45-18-17-43(33(2)8-19-49(60)61)54(45,5)48(59)31-46(51)52/h1,9-10,12-13,28,33,36,39,41-48,51,58-59,62H,8,11,14-27,29-32H2,2-6H3,(H,60,61)/t33-,36+,39+,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/m1/s1
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150n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50377349
PNG
(CHEMBL253745)
Show SMILES COc1ccc2cc[nH]c2c1-c1cc(C)c2NC(C)(C)CC(C)c2c1Cl
Show InChI InChI=1S/C22H25ClN2O/c1-12-10-15(18-16(26-5)7-6-14-8-9-24-21(14)18)19(23)17-13(2)11-22(3,4)25-20(12)17/h6-10,13,24-25H,11H2,1-5H3
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155n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50410187
PNG
(CHEMBL2096804)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C55H77NO8/c1-7-55(62)23-21-44-41-15-11-35-28-38(57)14-16-40(35)50(41)42(32-53(44,55)4)34-9-12-37(13-10-34)56(6)24-25-63-26-27-64-39-20-22-52(3)36(29-39)30-47(58)51-45-18-17-43(33(2)8-19-49(60)61)54(45,5)48(59)31-46(51)52/h1,9-10,12-13,28,33,36,39,41-48,51,58-59,62H,8,11,14-27,29-32H2,2-6H3,(H,60,61)/t33-,36+,39-,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/m1/s1
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170n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50151067
PNG
((4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-5-[4-({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)C(=O)CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C56H78N2O7/c1-8-56(65)26-24-44-41-18-14-35-28-39(59)17-19-40(35)51(41)42(32-54(44,56)4)34-12-15-37(16-13-34)57(6)27-9-10-49(62)58(7)38-23-25-53(3)36(29-38)30-47(60)52-45-21-20-43(33(2)11-22-50(63)64)55(45,5)48(61)31-46(52)53/h1,12-13,15-16,28,33,36,38,41-48,52,60-61,65H,9-11,14,17-27,29-32H2,2-7H3,(H,63,64)/t33-,36+,38?,41+,42-,43-,44+,45+,46+,47-,48+,52+,53+,54+,55-,56+/m1/s1
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190n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50110789
PNG
(CHEMBL3605934)
Show SMILES CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1ccc(F)cc1
Show InChI InChI=1S/C15H13FN2O2S/c1-21(19,20)18-14-4-2-3-12-13(9-17-15(12)14)10-5-7-11(16)8-6-10/h2-9,17-18H,1H3
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225n/an/an/an/an/an/an/an/a



Eli Lilly Biotechnology Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells by scintillation counting based radioligand competit...


J Med Chem 58: 6607-18 (2015)

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


(Homo sapiens (Human))
BDBM50214922
PNG
((Z)-5-(3-hydroxybenzylidene)-10-methoxy-2,2,4-trim...)
Show SMILES COc1c(O)ccc2O\C(=C/c3cccc(O)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12
Show InChI InChI=1S/C27H27NO4/c1-15-14-27(2,3)28-19-9-8-18-24(23(15)19)22(13-16-6-5-7-17(29)12-16)32-21-11-10-20(30)26(31-4)25(18)21/h5-14,19,23,28-30H,1-4H3/b22-13-
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290n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at MR


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


(Homo sapiens (Human))
BDBM50216480
PNG
(5-benzyl-6-(4-(2-methoxyphenyl)piperidin-1-yl)pyri...)
Show SMILES COc1ccccc1C1CCN(CC1)c1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1
Show InChI InChI=1S/C23H25N3O3/c1-29-20-10-6-5-9-18(20)17-11-13-26(14-12-17)21-19(22(27)25-23(28)24-21)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,24,25,27,28)
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298n/an/an/an/an/an/an/an/a



Argenta Discovery Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]aldosterone from mineralocorticoid receptor expressed in Sf9 cells


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


(Homo sapiens (Human))
BDBM50151065
PNG
((4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-9,16-dih...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)S(=O)(=O)CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C55H78N2O8S/c1-8-55(63)25-23-44-41-17-13-35-28-39(58)16-18-40(35)50(41)42(32-53(44,55)4)34-11-14-37(15-12-34)56(6)26-9-27-66(64,65)57(7)38-22-24-52(3)36(29-38)30-47(59)51-45-20-19-43(33(2)10-21-49(61)62)54(45,5)48(60)31-46(51)52/h1,11-12,14-15,28,33,36,38,41-48,51,59-60,63H,9-10,13,16-27,29-32H2,2-7H3,(H,61,62)/t33-,36+,38?,41+,42-,43-,44+,45+,46+,47-,48+,51+,52+,53+,54-,55+/m1/s1
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300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50151066
PNG
((4R)-4-[(1S,2S,7R,9R,10R,11S,14R,15R,16S)-5-({[({4...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C54H72N2O9/c1-7-54(64)23-21-41-38-15-11-32-24-35(57)14-16-37(32)48(38)39(28-52(41,54)4)31-9-12-34(13-10-31)56(6)46(60)29-55-50(63)65-36-20-22-51(3)33(25-36)26-44(58)49-42-18-17-40(30(2)8-19-47(61)62)53(42,5)45(59)27-43(49)51/h1,9-10,12-13,24,30,33,36,38-45,49,58-59,64H,8,11,14-23,25-29H2,2-6H3,(H,55,63)(H,61,62)/t30-,33+,36?,38+,39-,40-,41+,42+,43+,44-,45+,49+,51+,52+,53-,54+/m1/s1
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310n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Mineralocorticoid receptor


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


(Homo sapiens (Human))
BDBM50151071
PNG
((4R)-4-[(1S,2S,7S,9R,10R,11S,14R,15R,16S)-9-({[2-(...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show InChI InChI=1S/C54H74N2O8/c1-7-54(63)23-21-42-39-15-11-33-26-36(57)14-16-38(33)48(39)40(30-52(42,54)4)32-9-12-35(13-10-32)56(6)25-24-55-50(62)64-45-28-34-27-37(58)20-22-51(34,3)44-29-46(59)53(5)41(17-18-43(53)49(44)45)31(2)8-19-47(60)61/h1,9-10,12-13,26,31,34,37,39-46,49,58-59,63H,8,11,14-25,27-30H2,2-6H3,(H,55,62)(H,60,61)/t31-,34+,37?,39+,40-,41-,42+,43+,44+,45-,46+,49+,51+,52+,53-,54+/m1/s1
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310n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Mineralocorticoid receptor


Citation and Details
More data for this
Ligand-Target Pair
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