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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with Target = 'mineralocorticoid' AND taxid = 10116   
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


(RAT)
BDBM86690
PNG
(A 348441 | A-348441)
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)CCO[C@H]1CCC2C(C1)C[C@@H](O)C1C3CCC(C(C)CCC(O)=O)C3[C@@H](O)CC21
Show InChI InChI=1S/C52H71NO7/c1-5-21-52(59)22-20-44-40-14-9-32-25-35(54)12-15-39(32)48(40)43(29-51(44,52)3)31-7-10-34(11-8-31)53(4)23-24-60-36-13-16-38-33(26-36)27-45(55)50-41-18-17-37(30(2)6-19-47(57)58)49(41)46(56)28-42(38)50/h7-8,10-11,25,30,33,36-38,40-46,49-50,55-56,59H,6,9,12-20,22-24,26-29H2,1-4H3,(H,57,58)/t30?,33?,36-,37?,38?,40-,41?,42?,43+,44-,45+,46-,49?,50?,51-,52-/m0/s1
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440n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
mineralocorticoid


(RAT)
BDBM86689
PNG
(CAS_84371-65-3 | NSC_55245 | RU-486)
Show SMILES CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC12C)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
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640n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




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


(Rattus norvegicus)
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


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


(Rattus norvegicus)
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


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


(Rattus norvegicus)
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


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


(Rattus norvegicus)
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


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


(Rattus norvegicus)
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


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


(Rattus norvegicus)
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 ...


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


(Rattus norvegicus)
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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n/an/a 820n/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 ...


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


(Rattus norvegicus)
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 ...


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


(Rattus norvegicus)
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


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


(Rattus norvegicus)
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


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Rattus norvegicus)
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 ...


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


(Rattus norvegicus)
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 ...


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


(Rattus norvegicus)
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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n/an/a>5.00E+3n/an/an/an/a7.54



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...


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


(Rattus norvegicus)
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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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...


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


(Rattus norvegicus)
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...


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


(Rattus norvegicus)
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...


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


(Rattus norvegicus)
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/a7.54



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...


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


(Rattus norvegicus)
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...


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More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Rattus norvegicus)
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


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


(Rattus norvegicus)
BDBM50336279
PNG
((R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-b...)
Show SMILES C[C@@H]1CCCCCCCc2cc(OS(=O)(=O)c3ccc(C)cc3)cc(OS(=O)(=O)c3ccc(C)cc3)c2C(=O)O1
Show InChI InChI=1S/C30H34O8S2/c1-21-11-15-26(16-12-21)39(32,33)37-25-19-24-10-8-6-4-5-7-9-23(3)36-30(31)29(24)28(20-25)38-40(34,35)27-17-13-22(2)14-18-27/h11-20,23H,4-10H2,1-3H3/t23-/m1/s1
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n/an/a 6.51E+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 ...


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


(Rattus norvegicus)
BDBM50167799
PNG
(1-(4-fluorophenyl)-4a-methyl-4',5'-divinyl-(4'R,4a...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21O[C@H](C=C)[C@H](O1)C=C)-c1ccc(F)cc1
Show InChI InChI=1S/C24H25FN2O2/c1-4-21-22(5-2)29-24(28-21)12-6-7-17-13-20-16(14-23(17,24)3)15-26-27(20)19-10-8-18(25)9-11-19/h4-5,8-11,13,15,21-22H,1-2,6-7,12,14H2,3H3/t21-,22-,23+/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat mineralocorticoid receptor


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


(Rattus norvegicus)
BDBM50167808
PNG
(1-(4-fluorophenyl)-4a-methyl-(4aS)-spiro[4,4a,5,6,...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCCC21OCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN2O2/c1-19-12-14-13-22-23(17-6-4-16(21)5-7-17)18(14)11-15(19)3-2-8-20(19)24-9-10-25-20/h4-7,11,13H,2-3,8-10,12H2,1H3/t19-/m0/s1
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n/an/a 7.56E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat mineralocorticoid receptor


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


(Rattus norvegicus)
BDBM50336280
PNG
((R)-de-O-methyllasioplodin | CHEMBL1669749)
Show SMILES C[C@@H]1CCCCCCCc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C16H22O4/c1-11-7-5-3-2-4-6-8-12-9-13(17)10-14(18)15(12)16(19)20-11/h9-11,17-18H,2-8H2,1H3/t11-/m1/s1
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n/an/a 8.93E+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 ...


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


(Rattus norvegicus)
BDBM50167790
PNG
(1-(4-fluorophenyl)-4',4a,6'-trimethyl-(4'S,4aS,6'S...)
Show SMILES C[C@H]1C[C@H](C)O[C@@]2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O1
Show InChI InChI=1S/C22H25FN2O2/c1-14-10-15(2)27-22(26-14)9-8-17-11-20-16(12-21(17,22)3)13-24-25(20)19-6-4-18(23)5-7-19/h4-7,11,13-15H,8-10,12H2,1-3H3/t14-,15-,21-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat mineralocorticoid receptor


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


(Rattus norvegicus)
BDBM50167795
PNG
(1-(4-fluorophenyl)-4',4a,5'-trimethyl-(4'R,4aS,5'R...)
Show SMILES C[C@H]1OC2(CCC3=Cc4c(C[C@]23C)cnn4-c2ccc(F)cc2)O[C@@H]1C
Show InChI InChI=1S/C21H23FN2O2/c1-13-14(2)26-21(25-13)9-8-16-10-19-15(11-20(16,21)3)12-23-24(19)18-6-4-17(22)5-7-18/h4-7,10,12-14H,8-9,11H2,1-3H3/t13-,14-,20+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat mineralocorticoid receptor


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


(Rattus norvegicus)
BDBM50167796
PNG
(1-(4-fluorophenyl)-4a-methyl-4',5'-divinyl-(4'R,4a...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC21O[C@H](C=C)[C@H](O1)C=C)-c1ccc(F)cc1
Show InChI InChI=1S/C23H23FN2O2/c1-4-20-21(5-2)28-23(27-20)11-10-16-12-19-15(13-22(16,23)3)14-25-26(19)18-8-6-17(24)7-9-18/h4-9,12,14,20-21H,1-2,10-11,13H2,3H3/t20-,21-,22+/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat mineralocorticoid receptor


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


(Rattus norvegicus)
BDBM50167794
PNG
(1-(4-fluorophenyl)-4a-methyl-(4aS)-spiro[1,4,4a,5,...)
Show SMILES C[C@]12Cc3cnn(c3C=C1CCC21OCCO1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H19FN2O2/c1-18-11-13-12-21-22(16-4-2-15(20)3-5-16)17(13)10-14(18)6-7-19(18)23-8-9-24-19/h2-5,10,12H,6-9,11H2,1H3/t18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for rat mineralocorticoid receptor


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


(Rattus norvegicus)
BDBM50355936
PNG
(CHEMBL1910411)
Show SMILES CN(C)[C@H]1C[C@H](Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
Show InChI InChI=1S/C15H23N3O3/c1-15(2,9-19)14-8-13(17(3)4)11-7-10(18(20)21)5-6-12(11)16-14/h5-7,13-14,16,19H,8-9H2,1-4H3/t13-,14-/m0/s1
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n/an/a 1.40E+4n/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


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Rattus norvegicus)
BDBM50336281
PNG
((R,Z)-12,14-dimethoxy-3-methyl-3,4,5,6,9,10-hexahy...)
Show SMILES COc1cc2CC\C=C/CCC[C@@H](C)OC(=O)c2c(OC)c1
Show InChI InChI=1S/C18H24O4/c1-13-9-7-5-4-6-8-10-14-11-15(20-2)12-16(21-3)17(14)18(19)22-13/h4,6,11-13H,5,7-10H2,1-3H3/b6-4-/t13-/m1/s1
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n/an/a 1.66E+4n/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 ...


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


(Rattus norvegicus)
BDBM50336282
PNG
((R)-3-methyl-1-oxo-3,4,5,6,7,8,9,10-octahydro-1H-b...)
Show SMILES CCC(=O)Oc1cc2CCCCCCC[C@@H](C)OC(=O)c2c(OC(=O)CC)c1
Show InChI InChI=1S/C22H30O6/c1-4-19(23)27-17-13-16-12-10-8-6-7-9-11-15(3)26-22(25)21(16)18(14-17)28-20(24)5-2/h13-15H,4-12H2,1-3H3/t15-/m1/s1
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n/an/a 3.17E+4n/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 ...


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


(Rattus norvegicus)
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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n/an/a 3.60E+5n/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


Citation and Details
Checked by Author
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Rattus norvegicus)
BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)
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n/an/a>1.00E+6n/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


Citation and Details
More data for this
Ligand-Target Pair