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Patent code US9394291

Compile Data Set for Download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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 (MR)


(Homo sapiens (Human))
BDBM238166
PNG
(US9394291, 7)
Show SMILES NC(=O)C[C@H]1COc2cc(Br)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C19H16BrN3O5/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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n/an/a 9.5n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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More data for this
Ligand-Target Pair
Mineralocorticoid receptor (MR)


(Homo sapiens (Human))
BDBM238167
PNG
(US9394291, 8 | US9394291, 8a | US9394291, 8b)
Show SMILES CNC(=O)CC1COc2cc(Br)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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n/an/a 10n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238163
PNG
(US9394291, 6 | US9394291, 6a | US9394291, 6b)
Show SMILES CNC(=O)CC1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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n/an/a 13n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238161
PNG
(US9394291, 5a)
Show SMILES NC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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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n/an/a 16n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238167
PNG
(US9394291, 8 | US9394291, 8a | US9394291, 8b)
Show SMILES CNC(=O)CC1COc2cc(Br)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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n/an/a 40n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238163
PNG
(US9394291, 6 | US9394291, 6a | US9394291, 6b)
Show SMILES CNC(=O)CC1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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n/an/a 58n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238163
PNG
(US9394291, 6 | US9394291, 6a | US9394291, 6b)
Show SMILES CNC(=O)CC1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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n/an/a 82n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238159
PNG
(US9394291, 4a)
Show SMILES CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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
PDB

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n/an/a 130n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238158
PNG
(US9394291, 4)
Show SMILES CNC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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n/an/a 180n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238152
PNG
(US9394291, 2 | US9394291, 2a)
Show SMILES CNC(=O)CC1COc2ccccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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n/an/a 230n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238159
PNG
(US9394291, 4a)
Show SMILES CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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
PDB

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n/an/a 240n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238155
PNG
(US9394291, 3 | US9394291, 3b)
Show SMILES NC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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n/an/a 270n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238155
PNG
(US9394291, 3 | US9394291, 3b)
Show SMILES NC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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n/an/a 480n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238158
PNG
(US9394291, 4)
Show SMILES CNC(=O)CC1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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n/an/a 740n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238151
PNG
(US9394291, 1)
Show SMILES NC(=O)CC1COc2ccccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C19H17N3O5/c20-17(23)8-12-9-26-16-4-2-1-3-14(16)22(12)19(25)11-5-6-15-13(7-11)21-18(24)10-27-15/h1-7,12H,8-10H2,(H2,20,23)(H,21,24)
PDB

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US Patent
n/an/a 1.40E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238167
PNG
(US9394291, 8 | US9394291, 8a | US9394291, 8b)
Show SMILES CNC(=O)CC1COc2cc(Br)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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US Patent
n/an/a 1.60E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238152
PNG
(US9394291, 2 | US9394291, 2a)
Show SMILES CNC(=O)CC1COc2ccccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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US Patent
n/an/a 1.80E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238163
PNG
(US9394291, 6 | US9394291, 6a | US9394291, 6b)
Show SMILES CNC(=O)CC1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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)
PDB

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n/an/a 1.90E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238151
PNG
(US9394291, 1)
Show SMILES NC(=O)CC1COc2ccccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
Show InChI InChI=1S/C19H17N3O5/c20-17(23)8-12-9-26-16-4-2-1-3-14(16)22(12)19(25)11-5-6-15-13(7-11)21-18(24)10-27-15/h1-7,12H,8-10H2,(H2,20,23)(H,21,24)
PDB

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n/an/a 2.90E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A2: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


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


(Homo sapiens (Human))
BDBM238162
PNG
(US9394291, 5b)
Show SMILES NC(=O)C[C@@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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-/m1/s1
PDB

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n/an/a 4.90E+3n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
Test A1: Briefly, in Test A1 the assay was run in 384 well format in 10 mM Tris-HCl, pH 7.5, 0.5 mM EDTA 20 mM NaMoO4, 0.1 mM DTT and 10% glycerol at...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%