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Patent code US9738632

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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141376
PNG
(US8916600, 10 | US9738632, Example 10)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCC[C@@H]1O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C33H34F2N4O6/c1-19(37-32(42)33(2,34)35)30(20-9-12-28-29(17-20)44-14-13-43-28)45-24-10-11-26-22(16-24)18-36-39(26)23-6-3-5-21(15-23)31(41)38-25-7-4-8-27(25)40/h3,5-6,9-12,15-19,25,27,30,40H,4,7-8,13-14H2,1-2H3,(H,37,42)(H,38,41)/t19-,25+,27-,30-/m0/s1
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n/an/a 0.647n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141385
PNG
(US8916600, 19 | US9738632, Example 19)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NC1CCS(=O)(=O)C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23?,29-/m0/s1
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n/an/a 0.663n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141378
PNG
(US8916600, 12 | US9738632, Example 12)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-11-29-30(17-23)45-14-13-44-29)46-27-9-10-28-25(16-27)20-39-41(28)26-7-3-6-24(15-26)32(42)38-19-22-5-4-12-37-18-22/h3-12,15-18,20-21,31H,13-14,19H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1
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n/an/a 0.767n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141373
PNG
(US8916600, 7 | US9738632, Example 8)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NC1CCCC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C33H34F2N4O5/c1-20(37-32(41)33(2,34)35)30(21-10-13-28-29(18-21)43-15-14-42-28)44-26-11-12-27-23(17-26)19-36-39(27)25-9-5-6-22(16-25)31(40)38-24-7-3-4-8-24/h5-6,9-13,16-20,24,30H,3-4,7-8,14-15H2,1-2H3,(H,37,41)(H,38,40)/t20-,30-/m0/s1
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n/an/a 0.796n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141379
PNG
(US8916600, 13 | US9738632, Example 13)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1cccnc1)c1ccc2COCOc2c1
Show InChI InChI=1S/C34H31F2N5O5/c1-21(40-33(43)34(2,35)36)31(23-8-9-25-19-44-20-45-30(25)15-23)46-28-10-11-29-26(14-28)18-39-41(29)27-7-3-6-24(13-27)32(42)38-17-22-5-4-12-37-16-22/h3-16,18,21,31H,17,19-20H2,1-2H3,(H,38,42)(H,40,43)/t21-,31-/m0/s1
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n/an/a 0.817n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141372
PNG
(US8916600, 6 | US9738632, Example 6)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1
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n/an/a 0.913n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141383
PNG
(US8916600, 17 | US9738632, Example 17)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NCc1ccccc1)c1ccc2COCOc2c1
Show InChI InChI=1S/C35H32F2N4O5/c1-22(40-34(43)35(2,36)37)32(24-11-12-26-20-44-21-45-31(26)17-24)46-29-13-14-30-27(16-29)19-39-41(30)28-10-6-9-25(15-28)33(42)38-18-23-7-4-3-5-8-23/h3-17,19,22,32H,18,20-21H2,1-2H3,(H,38,42)(H,40,43)/t22-,32-/m0/s1
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n/an/a 0.996n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141371
PNG
(US8916600, 5 | US9738632, Example 5)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCOC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)43-13-12-42-27)44-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-11-41-18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/m0/s1
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n/an/a 1.08n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141375
PNG
(US8916600, 9 | US9738632, Example 9)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCOC1)c1ccc2COCOc2c1
Show InChI InChI=1S/C32H32F2N4O6/c1-19(36-31(40)32(2,33)34)29(20-6-7-22-16-42-18-43-28(22)14-20)44-26-8-9-27-23(13-26)15-35-38(27)25-5-3-4-21(12-25)30(39)37-24-10-11-41-17-24/h3-9,12-15,19,24,29H,10-11,16-18H2,1-2H3,(H,36,40)(H,37,39)/t19-,24-,29-/m0/s1
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n/an/a 1.09n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141373
PNG
(US8916600, 7 | US9738632, Example 8)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)NC1CCCC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C33H34F2N4O5/c1-20(37-32(41)33(2,34)35)30(21-10-13-28-29(18-21)43-15-14-42-28)44-26-11-12-27-23(17-26)19-36-39(27)25-9-5-6-22(16-25)31(40)38-24-7-3-4-8-24/h5-6,9-13,16-20,24,30H,3-4,7-8,14-15H2,1-2H3,(H,37,41)(H,38,40)/t20-,30-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141367
PNG
(US8916600, 1 | US8916600, 4 | US9738632, Example 1)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23-,29-/m0/s1
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n/an/a 1.32n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141368
PNG
(US8916600, 2 | US8916600, 3 | US9738632, Example 2)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-9-27-28(16-20)44-12-11-43-27)45-25-7-8-26-22(15-25)17-35-38(26)24-5-3-4-21(14-24)30(39)37-23-10-13-46(41,42)18-23/h3-9,14-17,19,23,29H,10-13,18H2,1-2H3,(H,36,40)(H,37,39)/t19-,23+,29-/m0/s1
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n/an/a 1.36n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM335727
PNG
(US9738632, Example 4)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2COCOc2c1
Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-7-22-16-43-18-44-28(22)14-20)45-26-8-9-27-23(13-26)15-35-38(27)25-5-3-4-21(12-25)30(39)37-24-10-11-46(41,42)17-24/h3-9,12-15,19,24,29H,10-11,16-18H2,1-2H3,(H,36,40)(H,37,39)/t19-,24-,29-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM335726
PNG
(US9738632, Example 3)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2COCOc2c1
Show InChI InChI=1S/C32H32F2N4O7S/c1-19(36-31(40)32(2,33)34)29(20-6-7-22-16-43-18-44-28(22)14-20)45-26-8-9-27-23(13-26)15-35-38(27)25-5-3-4-21(12-25)30(39)37-24-10-11-46(41,42)17-24/h3-9,12-15,19,24,29H,10-11,16-18H2,1-2H3,(H,36,40)(H,37,39)/t19-,24+,29-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141380
PNG
(US8916600, 14 | US9738632, Example 14)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCC[C@@H]1O)c1ccc2COCOc2c1
Show InChI InChI=1S/C33H34F2N4O6/c1-19(37-32(42)33(2,34)35)30(20-9-10-22-17-43-18-44-29(22)15-20)45-25-11-12-27-23(14-25)16-36-39(27)24-6-3-5-21(13-24)31(41)38-26-7-4-8-28(26)40/h3,5-6,9-16,19,26,28,30,40H,4,7-8,17-18H2,1-2H3,(H,37,42)(H,38,41)/t19-,26+,28-,30-/m0/s1
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n/an/a 1.75n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141386
PNG
(US8916600, 20 | US9738632, Example 20)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@@H]1CCOC1=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C32H30F2N4O7/c1-18(36-31(41)32(2,33)34)28(19-6-9-26-27(16-19)43-13-12-42-26)45-23-7-8-25-21(15-23)17-35-38(25)22-5-3-4-20(14-22)29(39)37-24-10-11-44-30(24)40/h3-9,14-18,24,28H,10-13H2,1-2H3,(H,36,41)(H,37,39)/t18-,24+,28-/m0/s1
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n/an/a 1.96n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141377
PNG
(US8916600, 11 | US9738632, Example 11)
Show SMILES CC[C@@H](O)CNC(=O)c1cccc(c1)-n1ncc2cc(O[C@@H]([C@H](C)NC(=O)C(C)(F)F)c3ccc4COCOc4c3)ccc12
Show InChI InChI=1S/C32H34F2N4O6/c1-4-25(39)16-35-30(40)21-6-5-7-24(12-21)38-27-11-10-26(13-23(27)15-36-38)44-29(19(2)37-31(41)32(3,33)34)20-8-9-22-17-42-18-43-28(22)14-20/h5-15,19,25,29,39H,4,16-18H2,1-3H3,(H,35,40)(H,37,41)/t19-,25+,29-/m0/s1
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n/an/a 2.15n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141384
PNG
(US8916600, 18 | US9738632, Example 18)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCC[C@@H]1O)c1ccc2COCOc2c1
Show InChI InChI=1S/C33H34F2N4O6/c1-19(37-32(42)33(2,34)35)30(20-9-10-22-17-43-18-44-29(22)15-20)45-25-11-12-27-23(14-25)16-36-39(27)24-6-3-5-21(13-24)31(41)38-26-7-4-8-28(26)40/h3,5-6,9-16,19,26,28,30,40H,4,7-8,17-18H2,1-2H3,(H,37,42)(H,38,41)/t19-,26-,28-,30-/m0/s1
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n/an/a 3.44n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141381
PNG
(US8916600, 15 | US8916600, 16 | US9738632, Example...)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCS(=O)C1)c1ccc2COCOc2c1
Show InChI InChI=1S/C32H32F2N4O6S/c1-19(36-31(40)32(2,33)34)29(20-6-7-22-16-42-18-43-28(22)14-20)44-26-8-9-27-23(13-26)15-35-38(27)25-5-3-4-21(12-25)30(39)37-24-10-11-45(41)17-24/h3-9,12-15,19,24,29H,10-11,16-18H2,1-2H3,(H,36,40)(H,37,39)/t19-,24-,29-,45?/m0/s1
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n/an/a 3.64n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM141381
PNG
(US8916600, 15 | US8916600, 16 | US9738632, Example...)
Show SMILES C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1cccc(c1)C(=O)N[C@H]1CCS(=O)C1)c1ccc2COCOc2c1
Show InChI InChI=1S/C32H32F2N4O6S/c1-19(36-31(40)32(2,33)34)29(20-6-7-22-16-42-18-43-28(22)14-20)44-26-8-9-27-23(13-26)15-35-38(27)25-5-3-4-21(12-25)30(39)37-24-10-11-45(41)17-24/h3-9,12-15,19,24,29H,10-11,16-18H2,1-2H3,(H,36,40)(H,37,39)/t19-,24-,29-,45?/m0/s1
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n/an/a 4.27n/an/an/an/an/an/a



AstraZeneca AB; Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
In the GR radioligand binding assay, test compounds were serially diluted in semi-log steps (10 concentrations) with a final concentration of 10 _...


US Patent US9738632 (2017)

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