Compile Data Set for Download or QSAR
Found 101 Enz. Inhib. hit(s) with all data for entry = 50043226
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228080(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
Affinity DataIC50: 11nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437578(CHEMBL2407646)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)C3CCCCC3)C2=O)cc(OC)c1
Show InChI InChI=1S/C28H34N2O6/c1-19(22-12-8-5-9-13-22)30-26(32)28(36-27(30)33,17-20-10-6-4-7-11-20)25(31)29-18-21-14-23(34-2)16-24(15-21)35-3/h4,6-7,10-11,14-16,19,22H,5,8-9,12-13,17-18H2,1-3H3,(H,29,31)/t19-,28-/m1/s1
Affinity DataIC50: 14nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437565(CHEMBL2407647)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H]3CCc4ccccc34)C2=O)cc(OC)c1
Show InChI InChI=1S/C29H28N2O6/c1-35-22-14-20(15-23(16-22)36-2)18-30-26(32)29(17-19-8-4-3-5-9-19)27(33)31(28(34)37-29)25-13-12-21-10-6-7-11-24(21)25/h3-11,14-16,25H,12-13,17-18H2,1-2H3,(H,30,32)/t25-,29-/m1/s1
Affinity DataIC50: 33nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437580(CHEMBL2407644)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccc(F)cc3)C2=O)cc(OC)c1
Show InChI InChI=1S/C28H27FN2O6/c1-18(21-9-11-22(29)12-10-21)31-26(33)28(37-27(31)34,16-19-7-5-4-6-8-19)25(32)30-17-20-13-23(35-2)15-24(14-20)36-3/h4-15,18H,16-17H2,1-3H3,(H,30,32)/t18-,28-/m1/s1
Affinity DataIC50: 37nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437631(CHEMBL2407668)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1
Show InChI InChI=1S/C28H28N2O6/c1-19(22-12-8-5-9-13-22)30-26(32)28(36-27(30)33,17-20-10-6-4-7-11-20)25(31)29-18-21-14-23(34-2)16-24(15-21)35-3/h4-16,19H,17-18H2,1-3H3,(H,29,31)/t19-,28-/m1/s1
Affinity DataIC50: 54nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437579(CHEMBL2407645)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccc(Cl)cc3)C2=O)cc(OC)c1
Show InChI InChI=1S/C28H27ClN2O6/c1-18(21-9-11-22(29)12-10-21)31-26(33)28(37-27(31)34,16-19-7-5-4-6-8-19)25(32)30-17-20-13-23(35-2)15-24(14-20)36-3/h4-15,18H,16-17H2,1-3H3,(H,30,32)/t18-,28-/m1/s1
Affinity DataIC50: 55nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437617(CHEMBL2407682)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc(F)cc2)C1=O)c1ccccc1
Show InChI InChI=1S/C25H21FN2O4/c1-17(19-10-6-3-7-11-19)28-23(30)25(32-24(28)31,16-18-8-4-2-5-9-18)22(29)27-21-14-12-20(26)13-15-21/h2-15,17H,16H2,1H3,(H,27,29)/t17-,25-/m1/s1
Affinity DataIC50: 100nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437615(CHEMBL2407684)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc(cc2)C#N)C1=O)c1ccccc1
Show InChI InChI=1S/C26H21N3O4/c1-18(21-10-6-3-7-11-21)29-24(31)26(33-25(29)32,16-19-8-4-2-5-9-19)23(30)28-22-14-12-20(17-27)13-15-22/h2-15,18H,16H2,1H3,(H,28,30)/t18-,26-/m1/s1
Affinity DataIC50: 100nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437577(CHEMBL2407648)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C3CCCc4ccccc34)C2=O)cc(OC)c1
Show InChI InChI=1S/C30H30N2O6/c1-36-23-15-21(16-24(17-23)37-2)19-31-27(33)30(18-20-9-4-3-5-10-20)28(34)32(29(35)38-30)26-14-8-12-22-11-6-7-13-25(22)26/h3-7,9-11,13,15-17,26H,8,12,14,18-19H2,1-2H3,(H,31,33)/t26?,30-/m1/s1
Affinity DataIC50: 170nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437620(CHEMBL2407679)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc(Cl)cc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H20ClFN2O4/c1-16(18-7-11-20(27)12-8-18)29-23(31)25(33-24(29)32,15-17-5-3-2-4-6-17)22(30)28-21-13-9-19(26)10-14-21/h2-14,16H,15H2,1H3,(H,28,30)/t16-,25-/m1/s1
Affinity DataIC50: 180nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437564(CHEMBL2407651)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccc(F)cc2)(C(=O)NCc2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H20Cl2F2N2O4/c1-15(18-5-9-20(30)10-6-18)32-24(34)26(36-25(32)35,13-16-2-7-19(29)8-3-16)23(33)31-14-17-4-11-21(27)22(28)12-17/h2-12,15H,13-14H2,1H3,(H,31,33)/t15-,26-/m1/s1
Affinity DataIC50: 180nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437610(CHEMBL2407854)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)N[C@H]2C[C@@H](C2)c2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H28N2O4/c1-20(22-13-7-3-8-14-22)31-27(33)29(35-28(31)34,19-21-11-5-2-6-12-21)26(32)30-25-17-24(18-25)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3,(H,30,32)/t20-,24-,25-,29-/m1/s1
Affinity DataIC50: 190nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437591(CHEMBL2407873)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccc(F)cc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1
Show InChI InChI=1S/C28H27FN2O6/c1-18(21-7-5-4-6-8-21)31-26(33)28(37-27(31)34,16-19-9-11-22(29)12-10-19)25(32)30-17-20-13-23(35-2)15-24(14-20)36-3/h4-15,18H,16-17H2,1-3H3,(H,30,32)/t18-,28-/m1/s1
Affinity DataIC50: 200nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437630(CHEMBL2407669)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc(Cl)cc2)C1=O)c1ccccc1
Show InChI InChI=1S/C26H23ClN2O4/c1-18(21-10-6-3-7-11-21)29-24(31)26(33-25(29)32,16-19-8-4-2-5-9-19)23(30)28-17-20-12-14-22(27)15-13-20/h2-15,18H,16-17H2,1H3,(H,28,30)/t18-,26-/m1/s1
Affinity DataIC50: 200nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50318300(CHEMBL1095097 | EPLERENONE | SC-66110)
Show SMILES COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
Show InChI InChI=1S/C24H30O6/c1-21-7-4-14(25)10-13(21)11-15(20(27)28-3)19-16-5-8-23(9-6-18(26)30-23)22(16,2)12-17-24(19,21)29-17/h10,15-17,19H,4-9,11-12H2,1-3H3/t15-,16+,17-,19+,21+,22+,23-,24-/m1/s1
Affinity DataIC50: 240nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437609(CHEMBL2407855)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H26N2O4/c1-19(21-13-7-3-8-14-21)30-26(32)28(34-27(30)33,18-20-11-5-2-6-12-20)25(31)29-24-17-23(24)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3,(H,29,31)/t19-,23+,24-,28-/m1/s1
Affinity DataIC50: 250nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437621(CHEMBL2407678)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccccc2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H21FN2O4/c1-17(19-12-14-20(26)15-13-19)28-23(30)25(32-24(28)31,16-18-8-4-2-5-9-18)22(29)27-21-10-6-3-7-11-21/h2-15,17H,16H2,1H3,(H,27,29)/t17-,25-/m1/s1
Affinity DataIC50: 270nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437629(CHEMBL2407670)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc(Cl)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C26H23ClN2O4/c1-18(21-12-6-3-7-13-21)29-24(31)26(33-25(29)32,16-19-9-4-2-5-10-19)23(30)28-17-20-11-8-14-22(27)15-20/h2-15,18H,16-17H2,1H3,(H,28,30)/t18-,26-/m1/s1
Affinity DataIC50: 280nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437590(CHEMBL2407874)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3cccc(F)c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1
Show InChI InChI=1S/C28H27FN2O6/c1-18(21-9-5-4-6-10-21)31-26(33)28(37-27(31)34,16-19-8-7-11-22(29)12-19)25(32)30-17-20-13-23(35-2)15-24(14-20)36-3/h4-15,18H,16-17H2,1-3H3,(H,30,32)/t18-,28-/m1/s1
Affinity DataIC50: 280nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437589(CHEMBL2407875)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3F)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1
Show InChI InChI=1S/C28H27FN2O6/c1-18(20-9-5-4-6-10-20)31-26(33)28(37-27(31)34,16-21-11-7-8-12-24(21)29)25(32)30-17-19-13-22(35-2)15-23(14-19)36-3/h4-15,18H,16-17H2,1-3H3,(H,30,32)/t18-,28-/m1/s1
Affinity DataIC50: 300nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437635(CHEMBL2407664)
Show SMILES COc1cccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)c1
Show InChI InChI=1S/C27H26N2O5/c1-19(22-13-7-4-8-14-22)29-25(31)27(34-26(29)32,17-20-10-5-3-6-11-20)24(30)28-18-21-12-9-15-23(16-21)33-2/h3-16,19H,17-18H2,1-2H3,(H,28,30)/t19-,27-/m1/s1
Affinity DataIC50: 300nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437599(CHEMBL2407865)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc3ccnn23)C1=O)c1ccccc1
Show InChI InChI=1S/C27H24N4O4/c1-19(21-11-6-3-7-12-21)30-25(33)27(35-26(30)34,17-20-9-4-2-5-10-20)24(32)28-18-23-14-8-13-22-15-16-29-31(22)23/h2-16,19H,17-18H2,1H3,(H,28,32)/t19-,27-/m1/s1
Affinity DataIC50: 300nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437616(CHEMBL2407683)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2cccc(F)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C25H21FN2O4/c1-17(19-11-6-3-7-12-19)28-23(30)25(32-24(28)31,16-18-9-4-2-5-10-18)22(29)27-21-14-8-13-20(26)15-21/h2-15,17H,16H2,1H3,(H,27,29)/t17-,25-/m1/s1
Affinity DataIC50: 300nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437567(CHEMBL2407659)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)N2CCc3ccccc3C2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H26N2O4/c1-20(22-12-6-3-7-13-22)30-26(32)28(34-27(30)33,18-21-10-4-2-5-11-21)25(31)29-17-16-23-14-8-9-15-24(23)19-29/h2-15,20H,16-19H2,1H3/t20-,28-/m1/s1
Affinity DataIC50: 340nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437628(CHEMBL2407671)
Show SMILES C[C@@H](NC(=O)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C27H25ClN2O4/c1-18(22-14-9-15-23(28)16-22)29-24(31)27(17-20-10-5-3-6-11-20)25(32)30(26(33)34-27)19(2)21-12-7-4-8-13-21/h3-16,18-19H,17H2,1-2H3,(H,29,31)/t18-,19-,27-/m1/s1
Affinity DataIC50: 400nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437576(CHEMBL2407649)
Show SMILES CC[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cc(OC)cc(OC)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H30N2O6/c1-4-25(22-13-9-6-10-14-22)31-27(33)29(37-28(31)34,18-20-11-7-5-8-12-20)26(32)30-19-21-15-23(35-2)17-24(16-21)36-3/h5-17,25H,4,18-19H2,1-3H3,(H,30,32)/t25-,29-/m1/s1
Affinity DataIC50: 400nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437586(CHEMBL2407638)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3Cl)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1
Show InChI InChI=1S/C28H27ClN2O6/c1-18(20-9-5-4-6-10-20)31-26(33)28(37-27(31)34,16-21-11-7-8-12-24(21)29)25(32)30-17-19-13-22(35-2)15-23(14-19)36-3/h4-15,18H,16-17H2,1-3H3,(H,30,32)/t18-,28-/m1/s1
Affinity DataIC50: 450nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437582(CHEMBL2407642)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C(C)C)C2=O)cc(OC)c1
Show InChI InChI=1S/C23H26N2O6/c1-15(2)25-21(27)23(31-22(25)28,13-16-8-6-5-7-9-16)20(26)24-14-17-10-18(29-3)12-19(11-17)30-4/h5-12,15H,13-14H2,1-4H3,(H,24,26)/t23-/m1/s1
Affinity DataIC50: 500nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437633(CHEMBL2407666)
Show SMILES COc1ccccc1CNC(=O)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O
Show InChI InChI=1S/C27H26N2O5/c1-19(21-13-7-4-8-14-21)29-25(31)27(34-26(29)32,17-20-11-5-3-6-12-20)24(30)28-18-22-15-9-10-16-23(22)33-2/h3-16,19H,17-18H2,1-2H3,(H,28,30)/t19-,27-/m1/s1
Affinity DataIC50: 500nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437625(CHEMBL2407674)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc(c2)C(F)(F)F)C1=O)c1ccccc1
Show InChI InChI=1S/C27H23F3N2O4/c1-18(21-12-6-3-7-13-21)32-24(34)26(36-25(32)35,16-19-9-4-2-5-10-19)23(33)31-17-20-11-8-14-22(15-20)27(28,29)30/h2-15,18H,16-17H2,1H3,(H,31,33)/t18-,26-/m1/s1
Affinity DataIC50: 500nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437581(CHEMBL2407643)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1
Show InChI InChI=1S/C28H28N2O6/c1-19(22-12-8-5-9-13-22)30-26(32)28(36-27(30)33,17-20-10-6-4-7-11-20)25(31)29-18-21-14-23(34-2)16-24(15-21)35-3/h4-16,19H,17-18H2,1-3H3,(H,29,31)/t19-,28+/m0/s1
Affinity DataIC50: 500nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437626(CHEMBL2407673)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc(cc2)C(F)(F)F)C1=O)c1ccccc1
Show InChI InChI=1S/C27H23F3N2O4/c1-18(21-10-6-3-7-11-21)32-24(34)26(36-25(32)35,16-19-8-4-2-5-9-19)23(33)31-17-20-12-14-22(15-13-20)27(28,29)30/h2-15,18H,16-17H2,1H3,(H,31,33)/t18-,26-/m1/s1
Affinity DataIC50: 570nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437622(CHEMBL2407677)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccc3ccccc3c2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H24N2O4/c1-20(22-12-6-3-7-13-22)31-27(33)29(35-28(31)34,19-21-10-4-2-5-11-21)26(32)30-25-17-16-23-14-8-9-15-24(23)18-25/h2-18,20H,19H2,1H3,(H,30,32)/t20-,29-/m1/s1
Affinity DataIC50: 600nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437611(CHEMBL2407853)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)N[C@H]2C[C@H](C2)c2ccccc2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H28N2O4/c1-20(22-13-7-3-8-14-22)31-27(33)29(35-28(31)34,19-21-11-5-2-6-12-21)26(32)30-25-17-24(18-25)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3,(H,30,32)/t20-,24-,25+,29-/m1/s1
Affinity DataIC50: 650nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228080(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
Affinity DataIC50: 670nMAssay Description:Antagonist activity at androgen receptor (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437587(CHEMBL2407637)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3cccc(Cl)c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1
Show InChI InChI=1S/C28H27ClN2O6/c1-18(21-9-5-4-6-10-21)31-26(33)28(37-27(31)34,16-19-8-7-11-22(29)12-19)25(32)30-17-20-13-23(35-2)15-24(14-20)36-3/h4-15,18H,16-17H2,1-3H3,(H,30,32)/t18-,28-/m1/s1
Affinity DataIC50: 750nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437566(CHEMBL2407660)
Show SMILES C[C@@H](N1C(=O)N[C@](Cc2ccccc2)(C(=O)N2CCc3ccccc3C2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H27N3O3/c1-20(22-12-6-3-7-13-22)31-26(33)28(29-27(31)34,18-21-10-4-2-5-11-21)25(32)30-17-16-23-14-8-9-15-24(23)19-30/h2-15,20H,16-19H2,1H3,(H,29,34)/t20-,28-/m1/s1
Affinity DataIC50: 990nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437634(CHEMBL2407665)
Show SMILES COc1ccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc1
Show InChI InChI=1S/C27H26N2O5/c1-19(22-11-7-4-8-12-22)29-25(31)27(34-26(29)32,17-20-9-5-3-6-10-20)24(30)28-18-21-13-15-23(33-2)16-14-21/h3-16,19H,17-18H2,1-2H3,(H,28,30)/t19-,27-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437636(CHEMBL2407663)
Show SMILES COc1cccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(Cc3ccccc3)C2=O)c1
Show InChI InChI=1S/C26H24N2O5/c1-32-22-14-8-13-21(15-22)17-27-23(29)26(16-19-9-4-2-5-10-19)24(30)28(25(31)33-26)18-20-11-6-3-7-12-20/h2-15H,16-18H2,1H3,(H,27,29)/t26-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437618(CHEMBL2407681)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2ccccc2Cl)C1=O)c1ccccc1
Show InChI InChI=1S/C25H21ClN2O4/c1-17(19-12-6-3-7-13-19)28-23(30)25(32-24(28)31,16-18-10-4-2-5-11-18)22(29)27-21-15-9-8-14-20(21)26/h2-15,17H,16H2,1H3,(H,27,29)/t17-,25-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437613(CHEMBL2407851)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CCC2)C1=O)c1ccccc1
Show InChI InChI=1S/C23H24N2O4/c1-16(18-11-6-3-7-12-18)25-21(27)23(29-22(25)28,15-17-9-4-2-5-10-17)20(26)24-19-13-8-14-19/h2-7,9-12,16,19H,8,13-15H2,1H3,(H,24,26)/t16-,23-/m1/s1
Affinity DataIC50: 1.20E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437601(CHEMBL2407863)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc3cnccc3c2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H25N3O4/c1-20(23-10-6-3-7-11-23)32-27(34)29(36-28(32)35,17-21-8-4-2-5-9-21)26(33)31-18-22-12-13-25-19-30-15-14-24(25)16-22/h2-16,19-20H,17-18H2,1H3,(H,31,33)/t20-,29-/m1/s1
Affinity DataIC50: 1.50E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437612(CHEMBL2407852)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NC2CC2)C1=O)c1ccccc1
Show InChI InChI=1S/C22H22N2O4/c1-15(17-10-6-3-7-11-17)24-20(26)22(28-21(24)27,19(25)23-18-12-13-18)14-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,23,25)/t15-,22-/m1/s1
Affinity DataIC50: 2.00E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437619(CHEMBL2407680)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)Nc2cccc(Cl)c2)C1=O)c1ccccc1
Show InChI InChI=1S/C25H21ClN2O4/c1-17(19-11-6-3-7-12-19)28-23(30)25(32-24(28)31,16-18-9-4-2-5-10-18)22(29)27-21-14-8-13-20(26)15-21/h2-15,17H,16H2,1H3,(H,27,29)/t17-,25-/m1/s1
Affinity DataIC50: 2.00E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437602(CHEMBL2407862)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc3ccccc3n2)C1=O)c1ccccc1
Show InChI InChI=1S/C29H25N3O4/c1-20(22-12-6-3-7-13-22)32-27(34)29(36-28(32)35,18-21-10-4-2-5-11-21)26(33)30-19-24-17-16-23-14-8-9-15-25(23)31-24/h2-17,20H,18-19H2,1H3,(H,30,33)/t20-,29-/m1/s1
Affinity DataIC50: 2.50E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437627(CHEMBL2407672)
Show SMILES C[C@H](NC(=O)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O)c1cccc(Cl)c1
Show InChI InChI=1S/C27H25ClN2O4/c1-18(22-14-9-15-23(28)16-22)29-24(31)27(17-20-10-5-3-6-11-20)25(32)30(26(33)34-27)19(2)21-12-7-4-8-13-21/h3-16,18-19H,17H2,1-2H3,(H,29,31)/t18-,19+,27+/m0/s1
Affinity DataIC50: 2.60E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437575(CHEMBL2407650)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(C3CCN(CC3)C(=O)C(F)(F)F)C2=O)cc(OC)c1
Show InChI InChI=1S/C27H28F3N3O7/c1-38-20-12-18(13-21(14-20)39-2)16-31-22(34)26(15-17-6-4-3-5-7-17)23(35)33(25(37)40-26)19-8-10-32(11-9-19)24(36)27(28,29)30/h3-7,12-14,19H,8-11,15-16H2,1-2H3,(H,31,34)/t26-/m1/s1
Affinity DataIC50: 2.90E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437632(CHEMBL2407667)
Show SMILES COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1
Show InChI InChI=1S/C27H26N2O6/c1-33-22-13-21(14-23(15-22)34-2)17-28-24(30)27(16-19-9-5-3-6-10-19)25(31)29(26(32)35-27)18-20-11-7-4-8-12-20/h3-15H,16-18H2,1-2H3,(H,28,30)/t27-/m1/s1
Affinity DataIC50: 3.00E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437623(CHEMBL2407676)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc(c2)S(C)(=O)=O)C1=O)c1ccccc1
Show InChI InChI=1S/C27H26N2O6S/c1-19(22-13-7-4-8-14-22)29-25(31)27(35-26(29)32,17-20-10-5-3-6-11-20)24(30)28-18-21-12-9-15-23(16-21)36(2,33)34/h3-16,19H,17-18H2,1-2H3,(H,28,30)/t19-,27-/m1/s1
Affinity DataIC50: 3.00E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50437600(CHEMBL2407864)
Show SMILES C[C@@H](N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc3cnccc23)C1=O)c1ccccc1
Show InChI InChI=1S/C29H25N3O4/c1-20(22-11-6-3-7-12-22)32-27(34)29(36-28(32)35,17-21-9-4-2-5-10-21)26(33)31-19-24-14-8-13-23-18-30-16-15-25(23)24/h2-16,18,20H,17,19H2,1H3,(H,31,33)/t20-,29-/m1/s1
Affinity DataIC50: 3.00E+3nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
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