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Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50039297   
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))
BDBM18207
PNG
((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
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n/an/a 33n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM19190
PNG
((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
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n/an/a 44n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326932
PNG
(2-((1H-pyrrolo[3,2-b]pyridin-1-yl)methyl)-1,1,1-tr...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc2ncccc12)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,15-11-14(22)6-7-18(15)29-3)12-20(28,21(23,24)25)13-27-10-8-16-17(27)5-4-9-26-16/h4-11,28H,12-13H2,1-3H3
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n/an/a 48n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326945
PNG
((R)-2-((1H-pyrrolo[3,2-c]pyridin-2-yl)methyl)-1,1,...)
Show SMILES COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-9-14(22)4-5-18(16)29-3)12-20(28,21(23,24)25)10-15-8-13-11-26-7-6-17(13)27-15/h4-9,11,27-28H,10,12H2,1-3H3/t20-/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326958
PNG
(3-[4,4,4-Trifluoro-3-hydroxy-1,1-dimethyl-3-(1H-py...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1ccccc1
Show InChI InChI=1S/C26H25F3N2O2/c1-24(2,21-13-18(8-9-23(21)32)17-6-4-3-5-7-17)16-25(33,26(27,28)29)14-20-12-19-10-11-30-15-22(19)31-20/h3-13,15,31-33H,14,16H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326946
PNG
(4-Fluoro-2-[(R)-4,4,4-trifluoro-3-hydroxy-1,1-dime...)
Show SMILES CC(C)(C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O |r|
Show InChI InChI=1S/C20H20F4N2O2/c1-18(2,15-8-13(21)3-4-17(15)27)11-19(28,20(22,23)24)9-14-7-12-5-6-25-10-16(12)26-14/h3-8,10,26-28H,9,11H2,1-2H3/t19-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326935
PNG
(1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2s1)C(F)(F)F
Show InChI InChI=1S/C21H21F4NO2S/c1-19(2,16-9-14(22)4-5-17(16)28-3)12-20(27,21(23,24)25)10-15-8-13-6-7-26-11-18(13)29-15/h4-9,11,27H,10,12H2,1-3H3
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n/an/a 220n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326948
PNG
(4-Fluoro-2-[(R)-4,4,4-trifluoro-3-hydroxy-1,1-dime...)
Show SMILES CC(C)(C[C@@](O)(Cc1cc2cnccc2[nH]1)C(F)(F)F)c1cc(F)ccc1O |r|
Show InChI InChI=1S/C20H20F4N2O2/c1-18(2,15-8-13(21)3-4-17(15)27)11-19(28,20(22,23)24)9-14-7-12-10-25-6-5-16(12)26-14/h3-8,10,26-28H,9,11H2,1-2H3/t19-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326950
PNG
(2-(4-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-5,5,5...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1cccnc1
Show InChI InChI=1S/C25H24F3N3O2/c1-23(2,20-11-16(5-6-22(20)32)18-4-3-8-29-13-18)15-24(33,25(26,27)28)12-19-10-17-7-9-30-14-21(17)31-19/h3-11,13-14,31-33H,12,15H2,1-2H3
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n/an/a 230n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326947
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2,3-dihydrobenzofuran-...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(F)cc2CCOc12
Show InChI InChI=1S/C22H22F4N2O2/c1-20(2,17-9-15(23)7-14-4-6-30-19(14)17)12-21(29,22(24,25)26)10-16-8-13-3-5-27-11-18(13)28-16/h3,5,7-9,11,28-29H,4,6,10,12H2,1-2H3
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n/an/a 280n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326936
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cnccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-9-14(22)4-5-18(16)29-3)12-20(28,21(23,24)25)10-15-8-13-11-26-7-6-17(13)27-15/h4-9,11,27-28H,10,12H2,1-3H3
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n/an/a 320n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326934
PNG
(2-((1H-indol-2-yl)methyl)-1,1,1-trifluoro-4-(5-flu...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C22H23F4NO2/c1-20(2,17-11-15(23)8-9-19(17)29-3)13-21(28,22(24,25)26)12-16-10-14-6-4-5-7-18(14)27-16/h4-11,27-28H,12-13H2,1-3H3
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n/an/a 380n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326943
PNG
((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...)
Show SMILES COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-9-14(22)4-5-18(16)29-3)12-20(28,21(23,24)25)10-15-8-13-6-7-26-11-17(13)27-15/h4-9,11,27-28H,10,12H2,1-3H3/t20-/m0/s1
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n/an/a 380n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326954
PNG
(1,1,1-Trifluoro-4-(2-methoxy-5-pyridin-3-ylphenyl)...)
Show SMILES COc1ccc(cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1ccncc1
Show InChI InChI=1S/C26H26F3N3O2/c1-24(2,21-13-18(4-5-23(21)34-3)17-6-9-30-10-7-17)16-25(33,26(27,28)29)14-20-12-19-8-11-31-15-22(19)32-20/h4-13,15,32-33H,14,16H2,1-3H3
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n/an/a 390n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326959
PNG
(1,1,1-Trifluoro-4-(4-methoxybiphenyl-3-yl)-4-methy...)
Show SMILES COc1ccc(cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C27H27F3N2O2/c1-25(2,22-14-19(9-10-24(22)34-3)18-7-5-4-6-8-18)17-26(33,27(28,29)30)15-21-13-20-11-12-31-16-23(20)32-21/h4-14,16,32-33H,15,17H2,1-3H3
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n/an/a 480n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326957
PNG
(4-(5-Chloro-2,3-dihydrobenzofuran-7-yl)-1,1,1-trif...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(Cl)cc2CCOc12
Show InChI InChI=1S/C22H22ClF3N2O2/c1-20(2,17-9-15(23)7-14-4-6-30-19(14)17)12-21(29,22(24,25)26)10-16-8-13-3-5-27-11-18(13)28-16/h3,5,7-9,11,28-29H,4,6,10,12H2,1-2H3
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n/an/a 540n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326933
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-9-14(22)4-5-18(16)29-3)12-20(28,21(23,24)25)10-15-8-13-6-7-26-11-17(13)27-15/h4-9,11,27-28H,10,12H2,1-3H3
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n/an/a 580n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326956
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methylphenyl)-4-meth...)
Show SMILES Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O/c1-13-4-5-15(22)9-17(13)19(2,3)12-20(28,21(23,24)25)10-16-8-14-6-7-26-11-18(14)27-16/h4-9,11,27-28H,10,12H2,1-3H3
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n/an/a 590n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326949
PNG
(4-(2,3-Dihydrobenzofuran-7-yl)-1,1,1-trifluoro-4-m...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cccc2CCOc12
Show InChI InChI=1S/C22H23F3N2O2/c1-20(2,17-5-3-4-14-7-9-29-19(14)17)13-21(28,22(23,24)25)11-16-10-15-6-8-26-12-18(15)27-16/h3-6,8,10,12,27-28H,7,9,11,13H2,1-2H3
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n/an/a 780n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326955
PNG
(1,1,1-Trifluoro-4-methyl-4-phenyl-2-(1H-pyrrolo[2,...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H21F3N2O/c1-18(2,15-6-4-3-5-7-15)13-19(26,20(21,22)23)11-16-10-14-8-9-24-12-17(14)25-16/h3-10,12,25-26H,11,13H2,1-2H3
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n/an/a 810n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326937
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cccnc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-10-14(22)6-7-17(16)29-3)12-20(28,21(23,24)25)11-15-9-13-5-4-8-26-18(13)27-15/h4-10,28H,11-12H2,1-3H3,(H,26,27)
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n/an/a 910n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326938
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-2-fur...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccncc2o1)C(F)(F)F
Show InChI InChI=1S/C21H21F4NO3/c1-19(2,16-9-14(22)4-5-17(16)28-3)12-20(27,21(23,24)25)10-15-8-13-6-7-26-11-18(13)29-15/h4-9,11,27H,10,12H2,1-3H3
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n/an/a 1.05E+3n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326951
PNG
(4-Pyrimidin-5-yl-2-[4,4,4-trifluoro-3-hydroxy-1,1-...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cc(ccc1O)-c1cncnc1
Show InChI InChI=1S/C24H23F3N4O2/c1-22(2,19-8-15(3-4-21(19)32)17-10-29-14-30-11-17)13-23(33,24(25,26)27)9-18-7-16-5-6-28-12-20(16)31-18/h3-8,10-12,14,31-33H,9,13H2,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326940
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ccccn2n1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,17-10-14(22)7-8-18(17)29-3)13-20(28,21(23,24)25)12-15-11-16-6-4-5-9-27(16)26-15/h4-11,28H,12-13H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326952
PNG
((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...)
Show SMILES COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r|
Show InChI InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326939
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2ncccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,15-9-13(22)6-7-18(15)29-3)12-20(28,21(23,24)25)11-14-10-17-16(27-14)5-4-8-26-17/h4-10,27-28H,11-12H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326941
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc[n+]([O-])cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O3/c1-19(2,16-9-14(22)4-5-18(16)30-3)12-20(28,21(23,24)25)10-15-8-13-6-7-27(29)11-17(13)26-15/h4-9,11,26,28H,10,12H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326953
PNG
(1,1,1-Trifluoro-4-(3-fluorophenyl)-4-methyl-2-(1H-...)
Show SMILES CC(C)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1cccc(F)c1
Show InChI InChI=1S/C20H20F4N2O/c1-18(2,14-4-3-5-15(21)9-14)12-19(27,20(22,23)24)10-16-8-13-6-7-25-11-17(13)26-16/h3-9,11,26-27H,10,12H2,1-2H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326942
PNG
(1,1,1-Trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-met...)
Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc2ccncc12)C(F)(F)F
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-10-15(22)4-5-18(16)29-3)12-20(28,21(23,24)25)13-27-9-7-14-6-8-26-11-17(14)27/h4-11,28H,12-13H2,1-3H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326952
PNG
((R)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...)
Show SMILES COc1ccc(cc1C(C)(C)C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)-c1cncnc1 |r|
Show InChI InChI=1S/C25H25F3N4O2/c1-23(2,20-9-16(4-5-22(20)34-3)18-11-30-15-31-12-18)14-24(33,25(26,27)28)10-19-8-17-6-7-29-13-21(17)32-19/h4-9,11-13,15,32-33H,10,14H2,1-3H3/t24-/m0/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50326944
PNG
((S)-2-((1H-pyrrolo[2,3-c]pyridin-2-yl)methyl)-1,1,...)
Show SMILES COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F4N2O2/c1-19(2,16-9-14(22)4-5-18(16)29-3)12-20(28,21(23,24)25)10-15-8-13-6-7-26-11-17(13)27-15/h4-9,11,27-28H,10,12H2,1-3H3/t20-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Boehringer-Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity to mineralocorticoid receptor expressed in baculovirus-infected insect cells using tetramethylrhodamine labeled Dexamethasone by flu...


J Med Chem 53: 6681-98 (2010)


Article DOI: 10.1021/jm100751q
BindingDB Entry DOI: 10.7270/Q2571D0X
More data for this
Ligand-Target Pair