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Compile Data Set for Download or QSAR

Found 1212 hits with Last Name = 'edman' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50531563
PNG
(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
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>0.316n/an/an/an/an/an/an/an/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))
BDBM50531598
PNG
(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
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0.316n/an/an/an/an/an/an/an/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))
BDBM50531587
PNG
(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
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0.501n/an/an/an/an/an/an/an/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))
BDBM50531593
PNG
(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
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0.631n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50531569
PNG
(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
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0.794n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531587
PNG
(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
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1.30n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531563
PNG
(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
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1.60n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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))
BDBM50531589
PNG
(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
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2n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531602
PNG
(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
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2.5n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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))
BDBM404276
PNG
(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
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2.5n/an/an/an/an/an/an/an/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
PNG
(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
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3.20n/an/an/an/an/an/an/an/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
PNG
(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
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3.20n/an/an/an/an/an/an/an/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
PNG
(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
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4n/an/an/an/an/an/an/an/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
PNG
(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
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4n/an/an/an/an/an/an/an/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
PNG
(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |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
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5n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531593
PNG
(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
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7.90n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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))
BDBM50531600
PNG
(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
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7.90n/an/an/an/an/an/an/an/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
PNG
(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
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7.90n/an/an/an/an/an/an/an/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
PNG
(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
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10n/an/an/an/an/an/an/an/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))
BDBM50531580
PNG
(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
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10n/an/an/an/an/an/an/an/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
PNG
(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+
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13n/an/an/an/an/an/an/an/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))
BDBM50531595
PNG
(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
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13n/an/an/an/an/an/an/an/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
PNG
(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
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16n/an/an/an/an/an/an/an/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531598
PNG
(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
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20n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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))
BDBM50398061
PNG
(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
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25n/an/an/an/an/an/an/an/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM238161
PNG
(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
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32n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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))
BDBM238159
PNG
(US10017502, Example 4b | US9394291, 4a)
Show SMILES CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C20H18FN3O5/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
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40n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50531588
PNG
(CHEMBL4557356)
Show SMILES NS(=O)(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCCNc2c1 |r|
Show InChI InChI=1S/C18H18FN3O5S/c19-12-2-3-15-17(8-12)27-9-13(10-28(20,24)25)22(15)18(23)11-1-4-16-14(7-11)21-5-6-26-16/h1-4,7-8,13,21H,5-6,9-10H2,(H2,20,24,25)/t13-/m1/s1
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40n/an/an/an/an/an/an/an/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531589
PNG
(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
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50n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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))
BDBM50531573
PNG
(CHEMBL4453801)
Show SMILES CNC(=O)C[C@H]1COc2ccccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C20H19N3O5/c1-21-18(24)9-13-10-27-17-5-3-2-4-15(17)23(13)20(26)12-6-7-16-14(8-12)22-19(25)11-28-16/h2-8,13H,9-11H2,1H3,(H,21,24)(H,22,25)/t13-/m0/s1
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50n/an/an/an/an/an/an/an/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))
BDBM50531597
PNG
(CHEMBL4442787)
Show SMILES NS(=O)(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2cc[nH]c2c1 |r|
Show InChI InChI=1S/C18H16FN3O4S/c19-13-3-4-16-17(8-13)26-9-14(10-27(20,24)25)22(16)18(23)12-2-1-11-5-6-21-15(11)7-12/h1-8,14,21H,9-10H2,(H2,20,24,25)/t14-/m1/s1
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50n/an/an/an/an/an/an/an/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))
BDBM50531564
PNG
(CHEMBL4566513)
Show SMILES COC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C20H17FN2O6/c1-27-19(25)8-13-9-28-17-7-12(21)3-4-15(17)23(13)20(26)11-2-5-16-14(6-11)22-18(24)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,24)/t13-/m0/s1
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63n/an/an/an/an/an/an/an/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))
BDBM404263
PNG
(2-{(3S or 3R)-7-Fluoro-4-[(3-oxo-3,4-dihydro-2H-1,...)
Show SMILES NC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C19H16FN3O5/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
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63n/an/an/an/an/an/an/an/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531596
PNG
(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
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79n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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))
BDBM50531586
PNG
(CHEMBL4462110)
Show SMILES CNC(=O)C[C@H]1COc2ccc(Cl)cc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C20H18ClN3O5/c1-22-18(25)8-13-9-28-17-5-3-12(21)7-15(17)24(13)20(27)11-2-4-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1
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100n/an/an/an/an/an/an/an/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))
BDBM50531568
PNG
(CHEMBL4455600)
Show SMILES NC(=O)C[C@H]1COc2cc(F)cc(F)c2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C19H15F2N3O5/c20-10-4-12(21)18-15(5-10)28-7-11(6-16(22)25)24(18)19(27)9-1-2-14-13(3-9)23-17(26)8-29-14/h1-5,11H,6-8H2,(H2,22,25)(H,23,26)/t11-/m0/s1
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100n/an/an/an/an/an/an/an/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))
BDBM50318300
PNG
(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 |r,t:6|
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
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126n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50531594
PNG
(CHEMBL4440099)
Show SMILES C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C19H17FN2O3/c1-11-2-3-12-8-14(20)5-6-16(12)22(11)19(24)13-4-7-17-15(9-13)21-18(23)10-25-17/h4-9,11H,2-3,10H2,1H3,(H,21,23)/t11-/m0/s1
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126n/an/an/an/an/an/an/an/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531582
PNG
(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
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126n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM404276
PNG
(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
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126n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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))
BDBM50531590
PNG
(CHEMBL4519264)
Show SMILES OC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C19H15ClN2O6/c20-11-2-3-14-16(6-11)27-8-12(7-18(24)25)22(14)19(26)10-1-4-15-13(5-10)21-17(23)9-28-15/h1-6,12H,7-9H2,(H,21,23)(H,24,25)/t12-/m0/s1
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158n/an/an/an/an/an/an/an/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531586
PNG
(CHEMBL4462110)
Show SMILES CNC(=O)C[C@H]1COc2ccc(Cl)cc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C20H18ClN3O5/c1-22-18(25)8-13-9-28-17-5-3-12(21)7-15(17)24(13)20(27)11-2-4-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1
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158n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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))
BDBM50531567
PNG
(CHEMBL4557032)
Show SMILES C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C18H15FN2O4/c1-10-8-24-16-7-12(19)3-4-14(16)21(10)18(23)11-2-5-15-13(6-11)20-17(22)9-25-15/h2-7,10H,8-9H2,1H3,(H,20,22)/t10-/m0/s1
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158n/an/an/an/an/an/an/an/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))
BDBM50531562
PNG
(CHEMBL4459932)
Show SMILES OCC[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C19H17FN2O5/c20-12-2-3-15-17(8-12)26-9-13(5-6-23)22(15)19(25)11-1-4-16-14(7-11)21-18(24)10-27-16/h1-4,7-8,13,23H,5-6,9-10H2,(H,21,24)/t13-/m0/s1
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200n/an/an/an/an/an/an/an/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531580
PNG
(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
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200n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531569
PNG
(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
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251n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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))
BDBM50531565
PNG
(CHEMBL4590259)
Show SMILES CNC(=O)C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r|
Show InChI InChI=1S/C21H20FN3O4/c1-23-19(26)10-15-5-2-12-8-14(22)4-6-17(12)25(15)21(28)13-3-7-18-16(9-13)24-20(27)11-29-18/h3-4,6-9,15H,2,5,10-11H2,1H3,(H,23,26)(H,24,27)/t15-/m1/s1
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316n/an/an/an/an/an/an/an/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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM404273
PNG
(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
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316n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531561
PNG
(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
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316n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50531600
PNG
(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
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316n/an/an/an/an/an/an/an/a



Pharmaron-Beijing Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization 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
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