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Patent code US9593113

Compile Data Set for Download or QSAR
Found 85 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
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299269
PNG
(US9593113, Example 34)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C26H26FN3O4/c1-14(2)33-16-10-8-15(9-11-16)20-13-12-18-21(26(3,4)24(31)30-25(28)32)17-6-5-7-19(27)22(17)34-23(18)29-20/h5-14,21H,1-4H3,(H3,28,30,31,32)/t21-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299305
PNG
(US9593113, Example 69)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C26H26FN3O4/c1-25(2,23(31)30-24(28)32)20-16-6-5-7-18(27)21(16)34-22-17(20)12-13-19(29-22)14-8-10-15(11-9-14)26(3,4)33/h5-13,20,33H,1-4H3,(H3,28,30,31,32)/t20-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299270
PNG
(US9593113, Example 35 | US9593113, Example 47)
Show SMILES CC(C)Oc1ccc(cc1F)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C26H25F2N3O4/c1-13(2)34-20-11-8-14(12-18(20)28)19-10-9-16-21(26(3,4)24(32)31-25(29)33)15-6-5-7-17(27)22(15)35-23(16)30-19/h5-13,21H,1-4H3,(H3,29,31,32,33)/t21-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299266
PNG
(US9593113, Example 31)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C25H24FN3O5S/c1-4-35(32,33)15-10-8-14(9-11-15)19-13-12-17-20(25(2,3)23(30)29-24(27)31)16-6-5-7-18(26)21(16)34-22(17)28-19/h5-13,20H,4H2,1-3H3,(H3,27,29,30,31)/t20-/m0/s1
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0.430n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299293
PNG
(US9593113, Example 57 | US9593113, Example 65)
Show SMILES CC(C)Oc1ccc(cn1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C25H26N4O4/c1-14(2)32-20-12-9-15(13-27-20)18-11-10-17-21(25(3,4)23(30)29-24(26)31)16-7-5-6-8-19(16)33-22(17)28-18/h5-14,21H,1-4H3,(H3,26,29,30,31)/t21-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299318
PNG
(US9593113, Example 82)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C26H27N3O5S/c1-15(2)35(32,33)17-11-9-16(10-12-17)20-14-13-19-22(26(3,4)24(30)29-25(27)31)18-7-5-6-8-21(18)34-23(19)28-20/h5-15,22H,1-4H3,(H3,27,29,30,31)/t22-/m0/s1
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0.580n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299268
PNG
(US9593113, Example 33)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)S(C)(=O)=O)C(=O)NC(N)=O
Show InChI InChI=1S/C24H22FN3O5S/c1-24(2,22(29)28-23(26)30)19-15-5-4-6-17(25)20(15)33-21-16(19)11-12-18(27-21)13-7-9-14(10-8-13)34(3,31)32/h4-12,19H,1-3H3,(H3,26,28,29,30)/t19-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299304
PNG
(US9593113, Example 68)
Show SMILES COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(nc3Oc3c(F)cccc23)-c2ccc(OC(C)C)nc2)cc1
Show InChI InChI=1S/C33H33FN4O5/c1-19(2)42-27-16-11-21(18-35-27)26-15-14-24-28(23-7-6-8-25(34)29(23)43-30(24)37-26)33(3,4)31(39)38-32(40)36-17-20-9-12-22(41-5)13-10-20/h6-16,18-19,28H,17H2,1-5H3,(H2,36,38,39,40)/t28-/m0/s1
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0.630n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048342
PNG
(CHEMBL3315064 | US9593113, Example 30)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCC1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H27FN4O4/c1-28(2,26(35)32-27(30)36)22-18-6-5-7-20(29)23(18)37-24-19(22)12-13-21(31-24)16-8-10-17(11-9-16)25(34)33-14-3-4-15-33/h5-13,22H,3-4,14-15H2,1-2H3,(H3,30,32,35,36)/t22-/m0/s1
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Similars

US Patent
0.720n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299271
PNG
(US9593113, Example 36)
Show SMILES CC(C)Oc1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C26H27N3O4/c1-15(2)32-17-11-9-16(10-12-17)20-14-13-19-22(26(3,4)24(30)29-25(27)31)18-7-5-6-8-21(18)33-23(19)28-20/h5-15,22H,1-4H3,(H3,27,29,30,31)/t22-/m0/s1
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0.800n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299281
PNG
(US9593113, Example 45)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)-n1cnnn1)C(=O)NC(N)=O
Show InChI InChI=1S/C24H20FN7O3/c1-24(2,22(33)29-23(26)34)19-15-4-3-5-17(25)20(15)35-21-16(19)10-11-18(28-21)13-6-8-14(9-7-13)32-12-27-30-31-32/h3-12,19H,1-2H3,(H3,26,29,33,34)/t19-/m0/s1
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0.820n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299270
PNG
(US9593113, Example 35 | US9593113, Example 47)
Show SMILES CC(C)Oc1ccc(cc1F)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C26H25F2N3O4/c1-13(2)34-20-11-8-14(12-18(20)28)19-10-9-16-21(26(3,4)24(32)31-25(29)33)15-6-5-7-17(27)22(15)35-23(16)30-19/h5-13,21H,1-4H3,(H3,29,31,32,33)/t21-/m0/s1
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0.840n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299279
PNG
(US9593113, Example 43)
Show SMILES CCCCc1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C27H28FN3O3/c1-4-5-7-16-10-12-17(13-11-16)21-15-14-19-22(27(2,3)25(32)31-26(29)33)18-8-6-9-20(28)23(18)34-24(19)30-21/h6,8-15,22H,4-5,7H2,1-3H3,(H3,29,31,32,33)/t22-/m0/s1
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0.910n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299278
PNG
(US9593113, Example 42)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)-c1ccccc1)C(=O)NC(N)=O
Show InChI InChI=1S/C29H24FN3O3/c1-29(2,27(34)33-28(31)35)24-20-9-6-10-22(30)25(20)36-26-21(24)15-16-23(32-26)19-13-11-18(12-14-19)17-7-4-3-5-8-17/h3-16,24H,1-2H3,(H3,31,33,34,35)/t24-/m0/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299320
PNG
(US9593113, Example 84)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCC1)C(=O)NC(N)=O
Show InChI InChI=1S/C27H25FN4O4/c1-27(2,25(34)31-26(29)35)21-17-5-3-6-19(28)22(17)36-23-18(21)11-12-20(30-23)15-7-9-16(10-8-15)24(33)32-13-4-14-32/h3,5-12,21H,4,13-14H2,1-2H3,(H3,29,31,34,35)/t21-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299275
PNG
(US9593113, Example 39)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C25H25N3O5S/c1-4-34(31,32)16-11-9-15(10-12-16)19-14-13-18-21(25(2,3)23(29)28-24(26)30)17-7-5-6-8-20(17)33-22(18)27-19/h5-14,21H,4H2,1-3H3,(H3,26,28,29,30)/t21-/m0/s1
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0.930n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299285
PNG
(US9593113, Example 49)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCC(F)(F)C2)c(F)c1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H25F3N4O4/c1-27(2,25(37)34-26(32)38)22-17-5-3-4-6-21(17)39-23-18(22)9-10-20(33-23)15-7-8-16(19(29)13-15)24(36)35-12-11-28(30,31)14-35/h3-10,13,22H,11-12,14H2,1-2H3,(H3,32,34,37,38)/t22-/m0/s1
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1.09n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299319
PNG
(Step 1 | US9593113, Example 83)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCCC1)C(N)=O
Show InChI InChI=1S/C28H28FN3O3/c1-28(2,27(30)34)23-19-7-6-8-21(29)24(19)35-25-20(23)13-14-22(31-25)17-9-11-18(12-10-17)26(33)32-15-4-3-5-16-32/h6-14,23H,3-5,15-16H2,1-2H3,(H2,30,34)/t23-/m0/s1
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1.11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299277
PNG
(US9593113, Example 41)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)N1CCOCC1)C(=O)NC(N)=O
Show InChI InChI=1S/C26H26FN5O4/c1-26(2,24(33)31-25(28)34)21-16-4-3-5-18(27)22(16)36-23-17(21)7-8-19(30-23)15-6-9-20(29-14-15)32-10-12-35-13-11-32/h3-9,14,21H,10-13H2,1-2H3,(H3,28,31,33,34)/t21-/m0/s1
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1.11n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299296
PNG
(US9593113, Example 60)
Show SMILES CC(C)Nc1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C25H26FN5O3/c1-13(2)29-19-11-8-14(12-28-19)18-10-9-16-20(25(3,4)23(32)31-24(27)33)15-6-5-7-17(26)21(15)34-22(16)30-18/h5-13,20H,1-4H3,(H,28,29)(H3,27,31,32,33)/t20-/m0/s1
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1.13n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299298
PNG
(US9593113, Example 62)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(NC2CC2)nc1)C(=O)NC(N)=O
Show InChI InChI=1S/C25H24FN5O3/c1-25(2,23(32)31-24(27)33)20-15-4-3-5-17(26)21(15)34-22-16(20)9-10-18(30-22)13-6-11-19(28-12-13)29-14-7-8-14/h3-6,9-12,14,20H,7-8H2,1-2H3,(H,28,29)(H3,27,31,32,33)/t20-/m0/s1
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1.15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299306
PNG
(US9593113, Example 70)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C26H27N3O4/c1-25(2,23(30)29-24(27)31)21-17-7-5-6-8-20(17)33-22-18(21)13-14-19(28-22)15-9-11-16(12-10-15)26(3,4)32/h5-14,21,32H,1-4H3,(H3,27,29,30,31)/t21-/m0/s1
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1.19n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299321
PNG
(US9593113, Example 85)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CC[C@@H](F)C1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H26F2N4O4/c1-28(2,26(36)33-27(31)37)22-18-4-3-5-20(30)23(18)38-24-19(22)10-11-21(32-24)15-6-8-16(9-7-15)25(35)34-13-12-17(29)14-34/h3-11,17,22H,12-14H2,1-2H3,(H3,31,33,36,37)/t17-,22+/m1/s1
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1.20n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299287
PNG
(US9593113, Example 51)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(F)c1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H27FN4O4/c1-28(2,26(35)32-27(30)36)23-18-7-3-4-8-22(18)37-24-19(23)11-12-21(31-24)16-9-10-17(20(29)15-16)25(34)33-13-5-6-14-33/h3-4,7-12,15,23H,5-6,13-14H2,1-2H3,(H3,30,32,35,36)/t23-/m0/s1
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1.34n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299249
PNG
(US9593113, Example 15)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C27H28FN3O4/c1-26(2,24(32)31-25(33)29-5)21-17-7-6-8-19(28)22(17)35-23-18(21)13-14-20(30-23)15-9-11-16(12-10-15)27(3,4)34/h6-14,21,34H,1-5H3,(H2,29,31,32,33)/t21-/m0/s1
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1.42n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299255
PNG
(US9593113, Example 21)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)Nc1ccccc1
Show InChI InChI=1S/C34H31FN4O5/c1-34(2,32(41)38-33(42)36-23-7-4-3-5-8-23)28-24-9-6-10-26(35)29(24)44-30-25(28)15-16-27(37-30)21-11-13-22(14-12-21)31(40)39-17-19-43-20-18-39/h3-16,28H,17-20H2,1-2H3,(H2,36,38,41,42)/t28-/m0/s1
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1.42n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299303
PNG
(US9593113, Example 67)
Show SMILES Cc1nnn(n1)-c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C25H23N7O3/c1-14-29-31-32(30-14)16-10-8-15(9-11-16)19-13-12-18-21(25(2,3)23(33)28-24(26)34)17-6-4-5-7-20(17)35-22(18)27-19/h4-13,21H,1-3H3,(H3,26,28,33,34)/t21-/m0/s1
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1.51n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299250
PNG
(US9593113, Example 16)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(OC(C)C)cc1
Show InChI InChI=1S/C27H28FN3O4/c1-15(2)34-17-11-9-16(10-12-17)21-14-13-19-22(27(3,4)25(32)31-26(33)29-5)18-7-6-8-20(28)23(18)35-24(19)30-21/h6-15,22H,1-5H3,(H2,29,31,32,33)/t22-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299295
PNG
(US9593113, Example 59)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(nc1)N1CCOCC1)C(=O)NC(N)=O
Show InChI InChI=1S/C26H27N5O4/c1-26(2,24(32)30-25(27)33)22-17-5-3-4-6-20(17)35-23-18(22)8-9-19(29-23)16-7-10-21(28-15-16)31-11-13-34-14-12-31/h3-10,15,22H,11-14H2,1-2H3,(H3,27,30,32,33)/t22-/m0/s1
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1.66n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299300
PNG
(US9593113, Example 64)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)N1CCCCC1)C(=O)NC(N)=O
Show InChI InChI=1S/C27H28FN5O3/c1-27(2,25(34)32-26(29)35)22-17-7-6-8-19(28)23(17)36-24-18(22)10-11-20(31-24)16-9-12-21(30-15-16)33-13-4-3-5-14-33/h6-12,15,22H,3-5,13-14H2,1-2H3,(H3,29,32,34,35)/t22-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299317
PNG
(US9593113, Example 81)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)-n1cnnn1)C(=O)NN
Show InChI InChI=1S/C23H21N7O2/c1-23(2,22(31)27-24)20-16-5-3-4-6-19(16)32-21-17(20)11-12-18(26-21)14-7-9-15(10-8-14)30-13-25-28-29-30/h3-13,20H,24H2,1-2H3,(H,27,31)/t20-/m0/s1
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1.71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299309
PNG
(US9593113, Example 73)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccncc1)C(=O)NC(N)=O
Show InChI InChI=1S/C22H19FN4O3/c1-22(2,20(28)27-21(24)29)17-13-4-3-5-15(23)18(13)30-19-14(17)6-7-16(26-19)12-8-10-25-11-9-12/h3-11,17H,1-2H3,(H3,24,27,28,29)/t17-/m0/s1
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1.72n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299272
PNG
(US9593113, Example 37)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)-c1ccccc1)C(=O)NC(N)=O
Show InChI InChI=1S/C29H25N3O3/c1-29(2,27(33)32-28(30)34)25-21-10-6-7-11-24(21)35-26-22(25)16-17-23(31-26)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h3-17,25H,1-2H3,(H3,30,32,33,34)/t25-/m0/s1
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1.74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299273
PNG
(US9593113, Example 38)
Show SMILES CCC(C)c1ccc(cc1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C27H29N3O3/c1-5-16(2)17-10-12-18(13-11-17)21-15-14-20-23(27(3,4)25(31)30-26(28)32)19-8-6-7-9-22(19)33-24(20)29-21/h6-16,23H,5H2,1-4H3,(H3,28,30,31,32)/t16?,23-/m0/s1
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1.74n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299286
PNG
(US9593113, Example 50)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCC(F)(F)C1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H26F2N4O4/c1-27(2,25(36)33-26(31)37)22-18-5-3-4-6-21(18)38-23-19(22)11-12-20(32-23)16-7-9-17(10-8-16)24(35)34-14-13-28(29,30)15-34/h3-12,22H,13-15H2,1-2H3,(H3,31,33,36,37)/t22-/m0/s1
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1.76n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048341
PNG
(CHEMBL3315063 | US9593113, Example 28)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H28N4O5/c1-28(2,26(34)31-27(29)35)23-19-5-3-4-6-22(19)37-24-20(23)11-12-21(30-24)17-7-9-18(10-8-17)25(33)32-13-15-36-16-14-32/h3-12,23H,13-16H2,1-2H3,(H3,29,31,34,35)/t23-/m0/s1
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1.81n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048343
PNG
(CHEMBL3315065 | US9593113, Example 40)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCCC1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H28N4O4/c1-28(2,26(34)31-27(29)35)23-19-7-3-4-8-22(19)36-24-20(23)13-14-21(30-24)17-9-11-18(12-10-17)25(33)32-15-5-6-16-32/h3-4,7-14,23H,5-6,15-16H2,1-2H3,(H3,29,31,34,35)/t23-/m0/s1
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1.93n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048345
PNG
(CHEMBL3315067 | US9593113, Example 46)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCCC1)C(=O)NC(N)=O
Show InChI InChI=1S/C27H26FN5O4/c1-27(2,25(35)32-26(29)36)21-16-6-5-7-18(28)22(16)37-23-17(21)9-11-19(31-23)15-8-10-20(30-14-15)24(34)33-12-3-4-13-33/h5-11,14,21H,3-4,12-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1
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1.97n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299280
PNG
(US9593113, Example 44)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCOCC2)c(F)c1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H27FN4O5/c1-28(2,26(35)32-27(30)36)23-18-5-3-4-6-22(18)38-24-19(23)9-10-21(31-24)16-7-8-17(20(29)15-16)25(34)33-11-13-37-14-12-33/h3-10,15,23H,11-14H2,1-2H3,(H3,30,32,35,36)/t23-/m0/s1
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2.37n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299302
PNG
(US9593113, Example 66)
Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C24H23N5O4/c1-13(30)27-19-11-8-14(12-26-19)17-10-9-16-20(24(2,3)22(31)29-23(25)32)15-6-4-5-7-18(15)33-21(16)28-17/h4-12,20H,1-3H3,(H,26,27,30)(H3,25,29,31,32)/t20-/m0/s1
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2.66n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299292
PNG
(US9593113, Example 56)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(C(=O)N2CCOCC2)c(F)c1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H26F2N4O5/c1-28(2,26(36)33-27(31)37)22-17-4-3-5-19(29)23(17)39-24-18(22)8-9-21(32-24)15-6-7-16(20(30)14-15)25(35)34-10-12-38-13-11-34/h3-9,14,22H,10-13H2,1-2H3,(H3,31,33,36,37)/t22-/m0/s1
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2.95n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299264
PNG
(US9593113, Example 29)
Show SMILES COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(nc3Oc3c(F)cccc23)-c2ccc(cc2)C(C)(C)O)cc1
Show InChI InChI=1S/C34H34FN3O5/c1-33(2,31(39)38-32(40)36-19-20-9-15-23(42-5)16-10-20)28-24-7-6-8-26(35)29(24)43-30-25(28)17-18-27(37-30)21-11-13-22(14-12-21)34(3,4)41/h6-18,28,41H,19H2,1-5H3,(H2,36,38,39,40)/t28-/m0/s1
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3.33n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299267
PNG
(US9593113, Example 32)
Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C26H26FN3O5S/c1-14(2)36(33,34)16-10-8-15(9-11-16)20-13-12-18-21(26(3,4)24(31)30-25(28)32)17-6-5-7-19(27)22(17)35-23(18)29-20/h5-14,21H,1-4H3,(H3,28,30,31,32)/t21-/m0/s1
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3.55n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048329
PNG
(CHEMBL3315051 | US9593113, Example 8)
Show SMILES CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C29H28FN3O4/c1-17(34)31-28(36)29(2,3)24-20-7-6-8-22(30)25(20)37-26-21(24)13-14-23(32-26)18-9-11-19(12-10-18)27(35)33-15-4-5-16-33/h6-14,24H,4-5,15-16H2,1-3H3,(H,31,34,36)/t24-/m0/s1
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3.59n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299258
PNG
(US9593113, Example 23)
Show SMILES CCCCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H35FN4O5/c1-4-5-15-34-31(40)36-30(39)32(2,3)26-22-7-6-8-24(33)27(22)42-28-23(26)13-14-25(35-28)20-9-11-21(12-10-20)29(38)37-16-18-41-19-17-37/h6-14,26H,4-5,15-19H2,1-3H3,(H2,34,36,39,40)/t26-/m0/s1
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3.64n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299293
PNG
(US9593113, Example 57 | US9593113, Example 65)
Show SMILES CC(C)Oc1ccc(cn1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C25H26N4O4/c1-14(2)32-20-12-9-15(13-27-20)18-11-10-17-21(25(3,4)23(30)29-24(26)31)16-7-5-6-8-19(16)33-22(17)28-18/h5-14,21H,1-4H3,(H3,26,29,30,31)/t21-/m0/s1
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4.23n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299297
PNG
(US9593113, Example 61)
Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C24H22FN5O4/c1-12(31)28-18-10-7-13(11-27-18)17-9-8-15-19(24(2,3)22(32)30-23(26)33)14-5-4-6-16(25)20(14)34-21(15)29-17/h4-11,19H,1-3H3,(H,27,28,31)(H3,26,30,32,33)/t19-/m0/s1
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4.26n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299245
PNG
(US9593113, Example 11)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C29H29FN4O4/c1-29(2,27(36)33-28(37)31-3)23-19-7-6-8-21(30)24(19)38-25-20(23)13-14-22(32-25)17-9-11-18(12-10-17)26(35)34-15-4-5-16-34/h6-14,23H,4-5,15-16H2,1-3H3,(H2,31,33,36,37)/t23-/m0/s1
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4.44n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299308
PNG
(US9593113, Example 72)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccncc1)C(=O)NC(N)=O
Show InChI InChI=1S/C22H20N4O3/c1-22(2,20(27)26-21(23)28)18-14-5-3-4-6-17(14)29-19-15(18)7-8-16(25-19)13-9-11-24-12-10-13/h3-12,18H,1-2H3,(H3,23,26,27,28)/t18-/m0/s1
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4.71n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299246
PNG
(US9593113, Example 12)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(=O)NC
Show InChI InChI=1S/C26H26FN3O5S/c1-5-36(33,34)16-11-9-15(10-12-16)20-14-13-18-21(26(2,3)24(31)30-25(32)28-4)17-7-6-8-19(27)22(17)35-23(18)29-20/h6-14,21H,5H2,1-4H3,(H2,28,30,31,32)/t21-/m0/s1
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5.04n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299260
PNG
(US9593113, Example 25)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)S(=O)(=O)C(C)C
Show InChI InChI=1S/C27H28FN3O5S/c1-15(2)37(34,35)17-11-9-16(10-12-17)21-14-13-19-22(27(3,4)25(32)31-26(33)29-5)18-7-6-8-20(28)23(18)36-24(19)30-21/h6-15,22H,1-5H3,(H2,29,31,32,33)/t22-/m0/s1
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5.26n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299261
PNG
(US9593113, Example 26)
Show SMILES COC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)OC
Show InChI InChI=1S/C26H23FN2O6/c1-26(2,24(31)29-25(32)34-4)20-16-6-5-7-18(27)21(16)35-22-17(20)12-13-19(28-22)14-8-10-15(11-9-14)23(30)33-3/h5-13,20H,1-4H3,(H,29,31,32)/t20-/m0/s1
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5.28n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048336
PNG
(CHEMBL3315058 | US9593113, Example 22)
Show SMILES CCNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H31FN4O5/c1-4-32-29(38)34-28(37)30(2,3)24-20-6-5-7-22(31)25(20)40-26-21(24)12-13-23(33-26)18-8-10-19(11-9-18)27(36)35-14-16-39-17-15-35/h5-13,24H,4,14-17H2,1-3H3,(H2,32,34,37,38)/t24-/m0/s1
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5.69n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048330
PNG
(CHEMBL3315052 | US9593113, Example 2)
Show SMILES CC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H28FN3O5/c1-17(34)31-28(36)29(2,3)24-20-5-4-6-22(30)25(20)38-26-21(24)11-12-23(32-26)18-7-9-19(10-8-18)27(35)33-13-15-37-16-14-33/h4-12,24H,13-16H2,1-3H3,(H,31,34,36)/t24-/m0/s1
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5.93n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299238
PNG
(US9593113, Example 4)
Show SMILES CC(=O)NC(=O)C(C)(C)[C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H29N3O5/c1-18(33)30-28(35)29(2,3)25-21-6-4-5-7-24(21)37-26-22(25)12-13-23(31-26)19-8-10-20(11-9-19)27(34)32-14-16-36-17-15-32/h4-13,25H,14-17H2,1-3H3,(H,30,33,35)/t25-/m0/s1
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7.01n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048346
PNG
(CHEMBL3315068 | US9593113, Example 48)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O
Show InChI InChI=1S/C27H26FN5O5/c1-27(2,25(35)32-26(29)36)21-16-4-3-5-18(28)22(16)38-23-17(21)7-9-19(31-23)15-6-8-20(30-14-15)24(34)33-10-12-37-13-11-33/h3-9,14,21H,10-13H2,1-2H3,(H3,29,32,35,36)/t21-/m0/s1
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7.35n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048338
PNG
(CHEMBL3315060 | US9593113, Example 24)
Show SMILES COc1ccc(CNC(=O)NC(=O)C(C)(C)[C@@H]2c3ccc(nc3Oc3c(F)cccc23)-c2ccc(cc2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C36H35FN4O6/c1-36(2,34(43)40-35(44)38-21-22-7-13-25(45-3)14-8-22)30-26-5-4-6-28(37)31(26)47-32-27(30)15-16-29(39-32)23-9-11-24(12-10-23)33(42)41-17-19-46-20-18-41/h4-16,30H,17-21H2,1-3H3,(H2,38,40,43,44)/t30-/m0/s1
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7.45n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299290
PNG
(US9593113, Example 54)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(nc1)C(=O)N1CCCC1)C(=O)NC(N)=O
Show InChI InChI=1S/C27H27N5O4/c1-27(2,25(34)31-26(28)35)22-17-7-3-4-8-21(17)36-23-18(22)10-12-19(30-23)16-9-11-20(29-15-16)24(33)32-13-5-6-14-32/h3-4,7-12,15,22H,5-6,13-14H2,1-2H3,(H3,28,31,34,35)/t22-/m0/s1
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7.65n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048332
PNG
(CHEMBL3315054 | US9593113, Example 7)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CC1
Show InChI InChI=1S/C31H30FN3O5/c1-31(2,30(38)34-27(36)19-8-9-19)25-21-4-3-5-23(32)26(21)40-28-22(25)12-13-24(33-28)18-6-10-20(11-7-18)29(37)35-14-16-39-17-15-35/h3-7,10-13,19,25H,8-9,14-17H2,1-2H3,(H,34,36,38)/t25-/m0/s1
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8.53n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299310
PNG
(US9593113, Example 74)
Show SMILES COc1ccc2[C@H](c3ccccc3Oc2c1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C19H20N2O4/c1-19(2,17(22)21-18(20)23)16-12-6-4-5-7-14(12)25-15-10-11(24-3)8-9-13(15)16/h4-10,16H,1-3H3,(H3,20,21,22,23)/t16-/m0/s1
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8.57n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048333
PNG
(CHEMBL3315055 | US9593113, Example 9)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)C1CCC1
Show InChI InChI=1S/C32H32FN3O5/c1-32(2,31(39)35-28(37)20-5-3-6-20)26-22-7-4-8-24(33)27(22)41-29-23(26)13-14-25(34-29)19-9-11-21(12-10-19)30(38)36-15-17-40-18-16-36/h4,7-14,20,26H,3,5-6,15-18H2,1-2H3,(H,35,37,39)/t26-/m0/s1
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8.81n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299251
PNG
(US9593113, Example 17)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(OC(C)C)nc1
Show InChI InChI=1S/C26H27FN4O4/c1-14(2)34-20-12-9-15(13-29-20)19-11-10-17-21(26(3,4)24(32)31-25(33)28-5)16-7-6-8-18(27)22(16)35-23(17)30-19/h6-14,21H,1-5H3,(H2,28,31,32,33)/t21-/m0/s1
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9.68n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299299
PNG
(US9593113, Example 63)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)C(O)=O)C(=O)NC(N)=O
Show InChI InChI=1S/C23H19FN4O5/c1-23(2,21(31)28-22(25)32)17-12-4-3-5-14(24)18(12)33-19-13(17)7-9-15(27-19)11-6-8-16(20(29)30)26-10-11/h3-10,17H,1-2H3,(H,29,30)(H3,25,28,31,32)/t17-/m0/s1
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10.8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299262
PNG
(US9593113, Example 27)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C27H28FN5O4/c1-27(2,25(34)32-26(35)29-3)22-17-5-4-6-19(28)23(17)37-24-18(22)8-9-20(31-24)16-7-10-21(30-15-16)33-11-13-36-14-12-33/h4-10,15,22H,11-14H2,1-3H3,(H2,29,32,34,35)/t22-/m0/s1
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10.9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299291
PNG
(US9593113, Example 55)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(nc1)C(=O)N1CCOCC1)C(=O)NC(N)=O
Show InChI InChI=1S/C27H27N5O5/c1-27(2,25(34)31-26(28)35)22-17-5-3-4-6-21(17)37-23-18(22)8-10-19(30-23)16-7-9-20(29-15-16)24(33)32-11-13-36-14-12-32/h3-10,15,22H,11-14H2,1-2H3,(H3,28,31,34,35)/t22-/m0/s1
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11.9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299254
PNG
(US9593113, Example 20)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)NC1CCCC1
Show InChI InChI=1S/C33H35FN4O5/c1-33(2,31(40)37-32(41)35-22-6-3-4-7-22)27-23-8-5-9-25(34)28(23)43-29-24(27)14-15-26(36-29)20-10-12-21(13-11-20)30(39)38-16-18-42-19-17-38/h5,8-15,22,27H,3-4,6-7,16-19H2,1-2H3,(H2,35,37,40,41)/t27-/m0/s1
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12.2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048331
PNG
(CHEMBL3315053 | US9593113, Example 6)
Show SMILES CC(C)C(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C31H32FN3O5/c1-18(2)27(36)34-30(38)31(3,4)25-21-6-5-7-23(32)26(21)40-28-22(25)12-13-24(33-28)19-8-10-20(11-9-19)29(37)35-14-16-39-17-15-35/h5-13,18,25H,14-17H2,1-4H3,(H,34,36,38)/t25-/m0/s1
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12.9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299247
PNG
(US9593113, Example 13)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C25H24FN3O5S/c1-25(2,23(30)29-24(31)27-3)20-16-6-5-7-18(26)21(16)34-22-17(20)12-13-19(28-22)14-8-10-15(11-9-14)35(4,32)33/h5-13,20H,1-4H3,(H2,27,29,30,31)/t20-/m0/s1
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13.6n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299315
PNG
(US9593113, Example 79)
Show SMILES CC(C)(O)CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C30H34FN3O5/c1-28(2,37)16-32-27(36)34-26(35)29(3,4)23-19-8-7-9-21(31)24(19)39-25-20(23)14-15-22(33-25)17-10-12-18(13-11-17)30(5,6)38/h7-15,23,37-38H,16H2,1-6H3,(H2,32,34,35,36)/t23-/m0/s1
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20.8n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299294
PNG
(US9593113, Example 58)
Show SMILES CN(C)c1ccc(cn1)-c1ccc2[C@H](c3ccccc3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C24H25N5O3/c1-24(2,22(30)28-23(25)31)20-15-7-5-6-8-18(15)32-21-16(20)10-11-17(27-21)14-9-12-19(26-13-14)29(3)4/h5-13,20H,1-4H3,(H3,25,28,30,31)/t20-/m0/s1
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24.9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299316
PNG
(US9593113, Example 80)
Show SMILES CC(C)(O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(=O)NCCO
Show InChI InChI=1S/C28H30FN3O5/c1-27(2,25(34)32-26(35)30-14-15-33)22-18-6-5-7-20(29)23(18)37-24-19(22)12-13-21(31-24)16-8-10-17(11-9-16)28(3,4)36/h5-13,22,33,36H,14-15H2,1-4H3,(H2,30,32,34,35)/t22-/m0/s1
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25.1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299307
PNG
(Step 1 | US9593113, Example 71)
Show SMILES CN1CCN(CC1)c1ncc(cn1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(N)=O
Show InChI InChI=1S/C26H28FN7O3/c1-26(2,23(35)32-24(28)36)20-16-5-4-6-18(27)21(16)37-22-17(20)7-8-19(31-22)15-13-29-25(30-14-15)34-11-9-33(3)10-12-34/h4-8,13-14,20H,9-12H2,1-3H3,(H3,28,32,35,36)/t20-/m0/s1
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25.9n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299311
PNG
(US9593113, Example 75)
Show SMILES CC(C)(C1c2ccccc2Oc2ccccc12)C(=O)NC(N)=O
Show InChI InChI=1S/C18H18N2O3/c1-18(2,16(21)20-17(19)22)15-11-7-3-5-9-13(11)23-14-10-6-4-8-12(14)15/h3-10,15H,1-2H3,(H3,19,20,21,22)
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32n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299253
PNG
(US9593113, Example 19)
Show SMILES CC(C)NC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C31H33FN4O5/c1-18(2)33-30(39)35-29(38)31(3,4)25-21-6-5-7-23(32)26(21)41-27-22(25)12-13-24(34-27)19-8-10-20(11-9-19)28(37)36-14-16-40-17-15-36/h5-13,18,25H,14-17H2,1-4H3,(H2,33,35,38,39)/t25-/m0/s1
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32.4n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299248
PNG
(US9593113, Example 14)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(Cl)nc2Oc2c(F)cccc12
Show InChI InChI=1S/C18H17ClFN3O3/c1-18(2,16(24)23-17(25)21-3)13-9-5-4-6-11(20)14(9)26-15-10(13)7-8-12(19)22-15/h4-8,13H,1-3H3,(H2,21,23,24,25)/t13-/m0/s1
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37.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299235
PNG
(Step 1 | US9593113, Example 1)
Show SMILES CC(C)([C@@H]1c2ccc(Cl)nc2Oc2c(F)cccc12)C(=O)Oc1c(F)c(F)c(F)c(F)c1F
Show InChI InChI=1S/C22H12ClF6NO3/c1-22(2,21(31)33-19-16(28)14(26)13(25)15(27)17(19)29)12-8-4-3-5-10(24)18(8)32-20-9(12)6-7-11(23)30-20/h3-7,12H,1-2H3/t12-/m0/s1
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42.7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299313
PNG
(US9593113, Example 77)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)NCCO
Show InChI InChI=1S/C30H31FN4O6/c1-30(2,28(38)34-29(39)32-12-15-36)24-20-4-3-5-22(31)25(20)41-26-21(24)10-11-23(33-26)18-6-8-19(9-7-18)27(37)35-13-16-40-17-14-35/h3-11,24,36H,12-17H2,1-2H3,(H2,32,34,38,39)/t24-/m0/s1
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61.7n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299239
PNG
(US9593113, Example 5)
Show SMILES CCC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H30FN3O5/c1-4-24(35)33-29(37)30(2,3)25-20-6-5-7-22(31)26(20)39-27-21(25)12-13-23(32-27)18-8-10-19(11-9-18)28(36)34-14-16-38-17-15-34/h5-13,25H,4,14-17H2,1-3H3,(H,33,35,37)/t25-/m0/s1
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66.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299314
PNG
(US9593113, Example 78)
Show SMILES CC(C)(O)CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H35FN4O6/c1-31(2,41)18-34-30(40)36-29(39)32(3,4)25-21-6-5-7-23(33)26(21)43-27-22(25)12-13-24(35-27)19-8-10-20(11-9-19)28(38)37-14-16-42-17-15-37/h5-13,25,41H,14-18H2,1-4H3,(H2,34,36,39,40)/t25-/m0/s1
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87.1n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM50048328
PNG
(CHEMBL3315050 | US9593113, Example 3)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2[C@H](c3cccc(F)c3Oc2n1)C(C)(C)C(=O)NC(C)=O
Show InChI InChI=1S/C27H26FN3O4/c1-15(32)29-26(34)27(2,3)22-18-7-6-8-20(28)23(18)35-24-19(22)13-14-21(30-24)16-9-11-17(12-10-16)25(33)31(4)5/h6-14,22H,1-5H3,(H,29,32,34)/t22-/m0/s1
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93.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299312
PNG
(US9593113, Example 76)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1cc[n+]([O-])cc1)C(=O)NC(N)=O
Show InChI InChI=1S/C22H20N4O4/c1-22(2,20(27)25-21(23)28)18-14-5-3-4-6-17(14)30-19-15(18)7-8-16(24-19)13-9-11-26(29)12-10-13/h3-12,18H,1-2H3,(H3,23,25,27,28)/t18-/m0/s1
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119n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299288
PNG
(US9593113, Example 52)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCCC2)c(Cl)c1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H27ClN4O4/c1-28(2,26(35)32-27(30)36)23-18-7-3-4-8-22(18)37-24-19(23)11-12-21(31-24)16-9-10-17(20(29)15-16)25(34)33-13-5-6-14-33/h3-4,7-12,15,23H,5-6,13-14H2,1-2H3,(H3,30,32,35,36)/t23-/m0/s1
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123n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299244
PNG
(US9593113, Example 10)
Show SMILES CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(=O)N1CCOCC1
Show InChI InChI=1S/C32H33FN4O6/c1-32(2,30(39)35-31(40)37-14-18-42-19-15-37)26-22-4-3-5-24(33)27(22)43-28-23(26)10-11-25(34-28)20-6-8-21(9-7-20)29(38)36-12-16-41-17-13-36/h3-11,26H,12-19H2,1-2H3,(H,35,39,40)/t26-/m0/s1
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171n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299252
PNG
(US9593113, Example 18)
Show SMILES CNC(=O)NC(=O)C(C)(C)[C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1cnc(nc1)N1CCN(C)CC1
Show InChI InChI=1S/C27H30FN7O3/c1-27(2,24(36)33-26(37)29-3)21-17-6-5-7-19(28)22(17)38-23-18(21)8-9-20(32-23)16-14-30-25(31-15-16)35-12-10-34(4)11-13-35/h5-9,14-15,21H,10-13H2,1-4H3,(H2,29,33,36,37)/t21-/m0/s1
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239n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

More data for this
Ligand-Target Pair
grmeasured in gr binding assay ii)


(Homo sapiens (Human))
BDBM299289
PNG
(US9593113, Example 53)
Show SMILES CC(C)([C@H]1c2ccccc2Oc2nc(ccc12)-c1ccc(C(=O)N2CCC(F)(F)C2)c(Cl)c1)C(=O)NC(N)=O
Show InChI InChI=1S/C28H25ClF2N4O4/c1-27(2,25(37)34-26(32)38)22-17-5-3-4-6-21(17)39-23-18(22)9-10-20(33-23)15-7-8-16(19(29)13-15)24(36)35-12-11-28(30,31)14-35/h3-10,13,22H,11-12,14H2,1-2H3,(H3,32,34,37,38)/t22-/m0/s1
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369n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Binding Assay (I):In order to assess the affinity of test compounds for the human glucocorticoid receptor, a commercially available kit was used (Glu...


US Patent US9593113 (2017)

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