Found 1567 hits Enz. Inhib. hit(s) with Target = 'Mineralocorticoid receptor' Target/Host
(Institution) | Ligand | Target/Host
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 | pH | Temp
°C |
|---|
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50235937
(CHEMBL4095917)Show SMILES CN1CCN(CC1)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=NC#N Show InChI InChI=1S/C28H25FN6O/c1-33-10-12-34(13-11-33)35-26-9-6-19(15-25(26)32-28(35)31-18-30)14-24-22-5-3-2-4-20(22)17-36-27-16-21(29)7-8-23(24)27/h2-9,14-16H,10-13,17H2,1H3,(H,31,32)/b24-14+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Aldosterone from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method |
J Med Chem 60: 2629-2650 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50235934
(CHEMBL4086416)Show SMILES [H][C@]12C[C@@H](CN1CCOC2)n1c2ccc(\C=C3\c4ccc(F)cc4OCc4c(F)cccc34)cc2[nH]c1=NC#N |r| Show InChI InChI=1S/C30H25F2N5O2/c31-19-5-6-23-24(22-2-1-3-26(32)25(22)16-39-29(23)12-19)10-18-4-7-28-27(11-18)35-30(34-17-33)37(28)20-13-21-15-38-9-8-36(21)14-20/h1-7,10-12,20-21H,8-9,13-16H2,(H,34,35)/b24-10+/t20-,21+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Aldosterone from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method |
J Med Chem 60: 2629-2650 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM19190
((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)Show SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23| 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 | PDB
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| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g
BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531598
(CHEMBL4572476)Show SMILES CS(=O)(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C19H17FN2O6S/c1-29(25,26)10-13-8-27-17-7-12(20)3-4-15(17)22(13)19(24)11-2-5-16-14(6-11)21-18(23)9-28-16/h2-7,13H,8-10H2,1H3,(H,21,23)/t13-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531563
(CHEMBL4463240)Show SMILES CC(C)Cc1cc2N([C@@H](CS(N)(=O)=O)COc2cc1F)C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C22H24FN3O6S/c1-12(2)5-14-7-18-20(8-16(14)23)31-9-15(11-33(24,29)30)26(18)22(28)13-3-4-19-17(6-13)25-21(27)10-32-19/h3-4,6-8,12,15H,5,9-11H2,1-2H3,(H,25,27)(H2,24,29,30)/t15-/m1/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| >0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50228078
((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 | PDB
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| Article
PubMed
| 0.319 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expressed in HEK293 cells |
ACS Med Chem Lett 2: 148-153 (2011)
Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50235935
(CHEMBL4088896)Show SMILES C[C@H](CN1CCOCC1)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=NC(N)=O |r| Show InChI InChI=1S/C30H30FN5O3/c1-19(17-35-10-12-38-13-11-35)36-27-9-6-20(15-26(27)33-30(36)34-29(32)37)14-25-23-5-3-2-4-21(23)18-39-28-16-22(31)7-8-24(25)28/h2-9,14-16,19H,10-13,17-18H2,1H3,(H3,32,33,34,37)/b25-14+/t19-/m1/s1 | PDB
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| 0.330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Aldosterone from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method |
J Med Chem 60: 2629-2650 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50448166
(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+ | PDB
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| CHEMBL
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| Article
PubMed
| 0.342 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g
BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| 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 | PDB
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| PDB
Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g
BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50398065
(CHEMBL2181925)Show SMILES Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3n([C@H]4C[C@H]5COCCN5C4)c(=O)[nH]c3c2)c1 |r| 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 | PDB
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UniProtKB/SwissProt
B.MOAD
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]aldosterone from human mineralocorticoid receptor overexpressed in HEK293 cells by microbeta counting assay |
J Med Chem 55: 7957-66 (2012)
Article DOI: 10.1021/jm300806c
BindingDB Entry DOI: 10.7270/Q2QC04N3 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50235936
(CHEMBL4099276)Show SMILES C[C@H](CN1CCOCC1)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=NC#N |r| Show InChI InChI=1S/C30H28FN5O2/c1-20(17-35-10-12-37-13-11-35)36-28-9-6-21(15-27(28)34-30(36)33-19-32)14-26-24-5-3-2-4-22(24)18-38-29-16-23(31)7-8-25(26)29/h2-9,14-16,20H,10-13,17-18H2,1H3,(H,33,34)/b26-14+/t20-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Aldosterone from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method |
J Med Chem 60: 2629-2650 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50228078
((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 | PDB
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| Article
PubMed
| 0.494 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human mineralocorticoid receptor |
J Med Chem 50: 6443-5 (2007)
Article DOI: 10.1021/jm701186z
BindingDB Entry DOI: 10.7270/Q23B5ZVP |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531587
(CHEMBL4471322)Show SMILES CC(C)Cc1cc2N([C@@H](CC(N)=O)COc2cc1Cl)C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24ClN3O5/c1-12(2)5-14-7-18-20(9-16(14)24)31-10-15(8-21(25)28)27(18)23(30)13-3-4-19-17(6-13)26-22(29)11-32-19/h3-4,6-7,9,12,15H,5,8,10-11H2,1-2H3,(H2,25,28)(H,26,29)/t15-/m0/s1 | PDB
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antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50367916
(METHYLTRIENOLONE | Metribolone | R-1881)Show SMILES C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9| 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 | PDB
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Similars
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone from mineralocorticoid receptor (unknown origin) expressed in HEK293 cell lysate incubated overnight by microbeta sc... |
J Med Chem 59: 750-5 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01168
BindingDB Entry DOI: 10.7270/Q2H70HQ9 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531593
(CHEMBL4555842)Show SMILES CNC(=O)C[C@H]1COc2cc(F)c(CC(C)C)cc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C24H26FN3O5/c1-13(2)6-15-8-19-21(10-17(15)25)32-11-16(9-22(29)26-3)28(19)24(31)14-4-5-20-18(7-14)27-23(30)12-33-20/h4-5,7-8,10,13,16H,6,9,11-12H2,1-3H3,(H,26,29)(H,27,30)/t16-/m0/s1 | PDB
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| PC cid
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UniChem
| PDB
Article
PubMed
| 0.631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50228079
((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 | PDB
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PC cid
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| Article
PubMed
| 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expressed in HEK293 cells |
ACS Med Chem Lett 2: 148-153 (2011)
Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50235981
(CHEMBL4063735)Show SMILES C[C@H](CN1CCOCC1)n1c2ccc(\C=C3/c4ccc(F)cc4COc4cc(F)ccc34)cc2[nH]c1=NC#N |r| Show InChI InChI=1S/C30H27F2N5O2/c1-19(16-36-8-10-38-11-9-36)37-28-7-2-20(13-27(28)35-30(37)34-18-33)12-26-24-5-3-22(31)14-21(24)17-39-29-15-23(32)4-6-25(26)29/h2-7,12-15,19H,8-11,16-17H2,1H3,(H,34,35)/b26-12+/t19-/m1/s1 | PDB
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| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Aldosterone from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method |
J Med Chem 60: 2629-2650 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531569
(CHEMBL4532472)Show SMILES NS(=O)(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C18H16FN3O6S/c19-11-2-3-14-16(6-11)27-7-12(9-29(20,25)26)22(14)18(24)10-1-4-15-13(5-10)21-17(23)8-28-15/h1-6,12H,7-9H2,(H,21,23)(H2,20,25,26)/t12-/m1/s1 | PDB
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UniChem
| PDB
Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50448167
(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+ | PDB
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| Article
PubMed
| 0.967 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g
BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50228076
((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 | PDB
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| 1.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]methyltrienolone from human mineralocorticoid receptor expressed in HEK293 cells |
ACS Med Chem Lett 2: 148-153 (2011)
Article DOI: 10.1021/ml100220b
BindingDB Entry DOI: 10.7270/Q2Z038G1 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50228079
((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 | PDB
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| Article
PubMed
| 1.56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human mineralocorticoid receptor |
J Med Chem 50: 6443-5 (2007)
Article DOI: 10.1021/jm701186z
BindingDB Entry DOI: 10.7270/Q23B5ZVP |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50089636
(CHEMBL3578271)Show SMILES C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 |r| | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to mineralocorticoid receptor (unknown origin) |
ACS Med Chem Lett 6: 461-5 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00010
BindingDB Entry DOI: 10.7270/Q21J9CH4 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531589
(CHEMBL4468672)Show SMILES CC(C)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C21H21FN2O4/c1-12(2)7-15-10-27-19-9-14(22)4-5-17(19)24(15)21(26)13-3-6-18-16(8-13)23-20(25)11-28-18/h3-6,8-9,12,15H,7,10-11H2,1-2H3,(H,23,25)/t15-/m0/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50110735
(CHEMBL3605932)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 | PDB
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1021/acs.jmedchem.5b00736
BindingDB Entry DOI: 10.7270/Q2ST7RMV |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50228076
((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 | PDB
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| 2.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human mineralocorticoid receptor |
J Med Chem 50: 6443-5 (2007)
Article DOI: 10.1021/jm701186z
BindingDB Entry DOI: 10.7270/Q23B5ZVP |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50228080
(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 |r,t:6| 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 | PDB
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MMDB
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Article
PubMed
| 2.32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human mineralocorticoid receptor |
J Med Chem 50: 6443-5 (2007)
Article DOI: 10.1021/jm701186z
BindingDB Entry DOI: 10.7270/Q23B5ZVP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50448165
(CHEMBL3120320)Show SMILES [#6]S(=O)(=O)[#7]-c1cccc(\[#6]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)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 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g
BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM404276
(US10017502, Example 8a)Show SMILES CNC(=O)C[C@H]1COc2cc(Br)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C20H18BrN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531602
(CHEMBL4581588)Show SMILES NC(=O)C[C@H]1COc2cc(F)c(cc2N1C(=O)c1ccc2OCC(=O)Nc2c1)C1CC1 |r| Show InChI InChI=1S/C22H20FN3O5/c23-15-8-19-17(7-14(15)11-1-2-11)26(13(9-30-19)6-20(24)27)22(29)12-3-4-18-16(5-12)25-21(28)10-31-18/h3-5,7-8,11,13H,1-2,6,9-10H2,(H2,24,27)(H,25,28)/t13-/m0/s1 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM404273
(US10017502, Example 6b)Show SMILES CNC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C20H18ClN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1 | PDB
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| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM238161
(US10017502, Example 5a | US9394291, 5a)Show SMILES NC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C19H16ClN3O5/c20-11-2-3-14-16(6-11)27-8-12(7-17(21)24)23(14)19(26)10-1-4-15-13(5-10)22-18(25)9-28-15/h1-6,12H,7-9H2,(H2,21,24)(H,22,25)/t12-/m0/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531561
(CHEMBL4483495)Show SMILES CNC(=O)C[C@H]1COc2cc(C)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C21H21N3O5/c1-12-3-5-16-18(7-12)28-10-14(9-19(25)22-2)24(16)21(27)13-4-6-17-15(8-13)23-20(26)11-29-17/h3-8,14H,9-11H2,1-2H3,(H,22,25)(H,23,26)/t14-/m0/s1 | PDB
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| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50228080
(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 |r,t:6| 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 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50448168
(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- | PDB
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| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone from human mineralocorticoid receptor expressed in HEK293 cells |
J Med Chem 57: 849-60 (2014)
Article DOI: 10.1021/jm401616g
BindingDB Entry DOI: 10.7270/Q23X885F |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50398061
(CHEMBL2181928)Show SMILES C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C18H19N3O3/c1-12-9-21(14(10-23-12)13-5-3-2-4-6-13)16-8-7-15-18(19-16)20-17(22)11-24-15/h2-8,12,14H,9-11H2,1H3,(H,19,20,22)/t12-,14+/m1/s1 | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone from human GST-tagged MR ligand binding domain after 4 hrs by liquid scintillation counting |
J Med Chem 61: 1086-1097 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01515
BindingDB Entry DOI: 10.7270/Q2V1277H |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM18207
((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...)Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| 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 | PDB
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| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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... |
J Med Chem 50: 4699-709 (2007)
Article DOI: 10.1021/jm070370z
BindingDB Entry DOI: 10.7270/Q2T151XT |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50228081
((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 | PDB
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| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human mineralocorticoid receptor |
J Med Chem 50: 6443-5 (2007)
Article DOI: 10.1021/jm701186z
BindingDB Entry DOI: 10.7270/Q23B5ZVP |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531600
(CHEMBL4544614)Show SMILES NC(=O)C[C@H]1CNc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C19H17ClN4O4/c20-11-2-3-15-13(6-11)22-8-12(7-17(21)25)24(15)19(27)10-1-4-16-14(5-10)23-18(26)9-28-16/h1-6,12,22H,7-9H2,(H2,21,25)(H,23,26)/t12-/m0/s1 | PDB
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| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531582
(CHEMBL4463035)Show SMILES CNC(=O)C[C@H]1COc2cc(F)c(CC(C)C)cc2N1C(=O)c1ccnc(NC(N)=O)c1 |r| Show InChI InChI=1S/C22H26FN5O4/c1-12(2)6-14-7-17-18(10-16(14)23)32-11-15(9-20(29)25-3)28(17)21(30)13-4-5-26-19(8-13)27-22(24)31/h4-5,7-8,10,12,15H,6,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,31)/t15-/m0/s1 | PDB
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| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50154362
(CHEMBL3775798)Show SMILES [H][C@]12C[C@H](CN1CCOC2)n1c2ccc(\C=C3/c4ccccc4COc4cc(F)ccc34)cc2[nH]c1=O |r| 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-/m1/s1 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC)
Curated by ChEMBL
| Assay Description
Compound was tested for its ability to stimulate [35S]GTP-gamma-S, binding to membranes from C6 glioma cells stably expressing rat mu opioid receptor |
J Med Chem 60: 2629-2650 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM18617
((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 |t:30| 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- | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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... |
J Med Chem 50: 4699-709 (2007)
Article DOI: 10.1021/jm070370z
BindingDB Entry DOI: 10.7270/Q2T151XT |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531580
(CHEMBL4448501)Show SMILES OCC[C@H]1COc2cc(F)c(CC3CCCCC3)cc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C26H29FN2O5/c27-20-13-24-22(12-18(20)10-16-4-2-1-3-5-16)29(19(8-9-30)14-33-24)26(32)17-6-7-23-21(11-17)28-25(31)15-34-23/h6-7,11-13,16,19,30H,1-5,8-10,14-15H2,(H,28,31)/t19-/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531596
(CHEMBL4440231)Show SMILES CNC(=O)C[C@H]1COc2cc(F)c(OC(C)C)cc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24FN3O6/c1-12(2)33-19-9-17-20(8-15(19)24)31-10-14(7-21(28)25-3)27(17)23(30)13-4-5-18-16(6-13)26-22(29)11-32-18/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,25,28)(H,26,29)/t14-/m0/s1 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50235933
(CHEMBL3775714)Show SMILES Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3[nH]c(=O)[nH]c3c2)c1 Show InChI InChI=1S/C22H15FN2O2/c23-15-6-7-17-18(9-13-5-8-19-20(10-13)25-22(26)24-19)16-4-2-1-3-14(16)12-27-21(17)11-15/h1-11H,12H2,(H2,24,25,26)/b18-9+ | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Qu£mica M£dica (IQM-CSIC)
Curated by ChEMBL
| Assay Description
Displacement of [3H]-cortisol from MR overexpressed in human 293 cells measured after 2 hrs by Microbeta scintillation counting method |
J Med Chem 60: 2629-2650 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01065
BindingDB Entry DOI: 10.7270/Q2HD7XXB |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531595
(CHEMBL4452144)Show SMILES CNC(=O)C[C@H]1COc2cc(ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1)C(F)(F)F |r| Show InChI InChI=1S/C21H18F3N3O5/c1-25-18(28)8-13-9-31-17-7-12(21(22,23)24)3-4-15(17)27(13)20(30)11-2-5-16-14(6-11)26-19(29)10-32-16/h2-7,13H,8-10H2,1H3,(H,25,28)(H,26,29)/t13-/m0/s1 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50235933
(CHEMBL3775714)Show SMILES Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3[nH]c(=O)[nH]c3c2)c1 Show InChI InChI=1S/C22H15FN2O2/c23-15-6-7-17-18(9-13-5-8-19-20(10-13)25-22(26)24-19)16-4-2-1-3-14(16)12-27-21(17)11-15/h1-11H,12H2,(H2,24,25,26)/b18-9+ | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50531570
(CHEMBL4556735)Show SMILES Cc1ccc2N(C(=O)c3ccc4OCC(=O)Nc4c3)[C@@](C)(CS(C)(=O)=O)COc2c1 |r| Show InChI InChI=1S/C21H22N2O6S/c1-13-4-6-16-18(8-13)29-11-21(2,12-30(3,26)27)23(16)20(25)14-5-7-17-15(9-14)22-19(24)10-28-17/h4-9H,10-12H2,1-3H3,(H,22,24)/t21-/m1/s1 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaron-Beijing Co., Ltd
Curated by ChEMBL
| Assay Description
Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay |
J Med Chem 62: 1385-1406 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01523
BindingDB Entry DOI: 10.7270/Q2GT5RP6 |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50334048
((-)-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 |w:1.0| 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 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to mineralocorticoid receptor |
Bioorg Med Chem Lett 21: 168-71 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.047
BindingDB Entry DOI: 10.7270/Q2VX0GRB |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50334048
((-)-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 |w:1.0| 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 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity at mineralocorticoid receptor |
Bioorg Med Chem Lett 18: 3504-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.029
BindingDB Entry DOI: 10.7270/Q2CR5V8F |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM18622
((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 |w:10.10,t:30| 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 | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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... |
J Med Chem 50: 4699-709 (2007)
Article DOI: 10.1021/jm070370z
BindingDB Entry DOI: 10.7270/Q2T151XT |
More data for this
Ligand-Target Pair | |
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