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Patent code US10246467

Compile Data Set for Download or QSAR
Found 67 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
MDM2/P53


(Homo sapiens (Human))
BDBM374770
PNG
(US10246467, Example I-67 | US10246467, Example I-6...)
Show SMILES CCOc1cccc(CN2[C@H]3COc4n(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1
Show InChI InChI=1/C35H27Cl2FN4O5/c1-2-46-21-6-3-5-18(13-21)16-41-28-17-47-32-22-11-9-19(33(43)44)14-26(22)40-42(32)31(28)29(23-7-4-8-25(37)30(23)38)35(41)24-12-10-20(36)15-27(24)39-34(35)45/h3-15,28-29,31H,2,16-17H2,1H3,(H,39,45)(H,43,44)/t28-,29-,31+,35+/s2
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n/an/a 3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374793
PNG
(US10246467, Example I-114 | US10246467, Example I-...)
Show SMILES OC(=O)c1cnc2nn3[C@@H]4[C@H](COc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C29H22Cl2FN5O4/c30-15-6-7-18-20(9-15)34-28(40)29(18)22(16-2-1-3-19(31)23(16)32)24-21(36(29)11-13-4-5-13)12-41-26-17-8-14(27(38)39)10-33-25(17)35-37(24)26/h1-3,6-10,13,21-22,24H,4-5,11-12H2,(H,34,40)(H,38,39)/t21-,22-,24+,29+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374773
PNG
(US10246467, Example I-70)
Show SMILES CCOc1cccc(CN2[C@H]3COc4n(nc5ccc(cc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1
Show InChI InChI=1/C35H27Cl2FN4O5/c1-2-46-21-6-3-5-18(13-21)16-41-28-17-47-32-23-14-19(33(43)44)9-12-26(23)40-42(32)31(28)29(22-7-4-8-25(37)30(22)38)35(41)24-11-10-20(36)15-27(24)39-34(35)45/h3-15,28-29,31H,2,16-17H2,1H3,(H,39,45)(H,43,44)/t28-,29-,31+,35+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374730
PNG
(US10246467, Example I-1 | US10246467, Example I-2)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C30H23Cl2FN4O4/c31-16-7-9-19-22(11-16)34-29(40)30(19)24(18-2-1-3-20(32)25(18)33)26-23(36(30)12-14-4-5-14)13-41-27-17-8-6-15(28(38)39)10-21(17)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374736
PNG
(US10246467, Example I-7 | US10246467, Example I-8)
Show SMILES COc1cc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2cc1C(O)=O
Show InChI InChI=1/C31H25Cl2FN4O5/c1-42-24-11-17-21(10-18(24)29(39)40)36-38-27-23(13-43-28(17)38)37(12-14-5-6-14)31(25(27)16-3-2-4-20(33)26(16)34)19-8-7-15(32)9-22(19)35-30(31)41/h2-4,7-11,14,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374796
PNG
(US10246467, Example I-117)
Show SMILES Cc1cc2nn3[C@@H]4[C@H](CCOc3c2cc1C(O)=O)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C32H27Cl2FN4O4/c1-15-11-23-20(13-19(15)30(40)41)29-39(37-23)28-25(9-10-43-29)38(14-16-5-6-16)32(26(28)18-3-2-4-22(34)27(18)35)21-8-7-17(33)12-24(21)36-31(32)42/h2-4,7-8,11-13,16,25-26,28H,5-6,9-10,14H2,1H3,(H,36,42)(H,40,41)/t25-,26-,28+,32+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374778
PNG
(US10246467, Example I-80)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5ccnc(Br)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C29H22BrClFN5O4/c30-25-23(32)17(7-8-33-25)22-24-21(12-41-26-16-5-3-14(27(38)39)9-19(16)35-37(24)26)36(11-13-1-2-13)29(22)18-6-4-15(31)10-20(18)34-28(29)40/h3-10,13,21-22,24H,1-2,11-12H2,(H,34,40)(H,38,39)/t21-,22-,24+,29+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374789
PNG
(US10246467, Example I-109 | US10246467, Example I-...)
Show SMILES Cc1c(ccc2nn3[C@@H]4[C@H](COc3c12)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C31H25Cl2FN4O4/c1-14-17(29(39)40)8-10-21-24(14)28-38(36-21)27-23(13-42-28)37(12-15-5-6-15)31(25(27)18-3-2-4-20(33)26(18)34)19-9-7-16(32)11-22(19)35-30(31)41/h2-4,7-11,15,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374733
PNG
(US10246467, Example I-4 | US10246467, Example I-5)
Show SMILES OC(=O)c1ccc2nn3[C@@H]4[C@H](COc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C30H23Cl2FN4O4/c31-16-7-8-19-22(11-16)34-29(40)30(19)24(17-2-1-3-20(32)25(17)33)26-23(36(30)12-14-4-5-14)13-41-27-18-10-15(28(38)39)6-9-21(18)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374777
PNG
(US10246467, Example I-78)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5ccnc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C29H22Cl2FN5O4/c30-15-4-6-18-20(10-15)34-28(40)29(18)22(17-7-8-33-25(31)23(17)32)24-21(36(29)11-13-1-2-13)12-41-26-16-5-3-14(27(38)39)9-19(16)35-37(24)26/h3-10,13,21-22,24H,1-2,11-12H2,(H,34,40)(H,38,39)/t21-,22-,24+,29+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374770
PNG
(US10246467, Example I-67 | US10246467, Example I-6...)
Show SMILES CCOc1cccc(CN2[C@H]3COc4n(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1
Show InChI InChI=1/C35H27Cl2FN4O5/c1-2-46-21-6-3-5-18(13-21)16-41-28-17-47-32-22-11-9-19(33(43)44)14-26(22)40-42(32)31(28)29(23-7-4-8-25(37)30(23)38)35(41)24-12-10-20(36)15-27(24)39-34(35)45/h3-15,28-29,31H,2,16-17H2,1H3,(H,39,45)(H,43,44)/t28-,29-,31+,35+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374779
PNG
(US10246467, Example I-82)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cc(Cl)nc(Cl)c5)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C29H22Cl3N5O4/c30-16-4-6-18-20(10-16)33-28(40)29(18)24(15-8-22(31)34-23(32)9-15)25-21(36(29)11-13-1-2-13)12-41-26-17-5-3-14(27(38)39)7-19(17)35-37(25)26/h3-10,13,21,24-25H,1-2,11-12H2,(H,33,40)(H,38,39)/t21-,24-,25+,29+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374733
PNG
(US10246467, Example I-4 | US10246467, Example I-5)
Show SMILES OC(=O)c1ccc2nn3[C@@H]4[C@H](COc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C30H23Cl2FN4O4/c31-16-7-8-19-22(11-16)34-29(40)30(19)24(17-2-1-3-20(32)25(17)33)26-23(36(30)12-14-4-5-14)13-41-27-18-10-15(28(38)39)6-9-21(18)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374730
PNG
(US10246467, Example I-1 | US10246467, Example I-2)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C30H23Cl2FN4O4/c31-16-7-9-19-22(11-16)34-29(40)30(19)24(18-2-1-3-20(32)25(18)33)26-23(36(30)12-14-4-5-14)13-41-27-17-8-6-15(28(38)39)10-21(17)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374793
PNG
(US10246467, Example I-114 | US10246467, Example I-...)
Show SMILES OC(=O)c1cnc2nn3[C@@H]4[C@H](COc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C29H22Cl2FN5O4/c30-15-6-7-18-20(9-15)34-28(40)29(18)22(16-2-1-3-19(31)23(16)32)24-21(36(29)11-13-4-5-13)12-41-26-17-8-14(27(38)39)10-33-25(17)35-37(24)26/h1-3,6-10,13,21-22,24H,4-5,11-12H2,(H,34,40)(H,38,39)/t21-,22-,24+,29+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374750
PNG
(US10246467, Example I-32 | US10246467, Example I-3...)
Show SMILES CC(C)(C)CN1[C@H]2COc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H27Cl2FN4O4/c1-30(2,3)14-37-23-13-42-27-17-9-7-15(28(39)40)11-21(17)36-38(27)26(23)24(18-5-4-6-20(33)25(18)34)31(37)19-10-8-16(32)12-22(19)35-29(31)41/h4-12,23-24,26H,13-14H2,1-3H3,(H,35,41)(H,39,40)/t23-,24-,26+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374736
PNG
(US10246467, Example I-7 | US10246467, Example I-8)
Show SMILES COc1cc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2cc1C(O)=O
Show InChI InChI=1/C31H25Cl2FN4O5/c1-42-24-11-17-21(10-18(24)29(39)40)36-38-27-23(13-43-28(17)38)37(12-14-5-6-14)31(25(27)16-3-2-4-20(33)26(16)34)19-8-7-15(32)9-22(19)35-30(31)41/h2-4,7-11,14,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374748
PNG
(US10246467, Example I-30)
Show SMILES C[C@@H]1Oc2n(nc3cc(ccc23)C(O)=O)[C@@H]2[C@H]1N(CC1CC1)[C@]1([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H25Cl2FN4O4/c1-14-26-27(38-28(42-14)18-9-7-16(29(39)40)11-22(18)36-38)24(19-3-2-4-21(33)25(19)34)31(37(26)13-15-5-6-15)20-10-8-17(32)12-23(20)35-30(31)41/h2-4,7-12,14-15,24,26-27H,5-6,13H2,1H3,(H,35,41)(H,39,40)/t14-,24-,26-,27-,31+/s2
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n/an/a 10n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374739
PNG
(US10246467, Example I-10 | US10246467, Example I-1...)
Show SMILES COc1cc2nn3[C@@H]4[C@H](COc3c2cc1C(O)=O)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H25Cl2FN4O5/c1-42-24-11-21-17(10-18(24)29(39)40)28-38(36-21)27-23(13-43-28)37(12-14-5-6-14)31(25(27)16-3-2-4-20(33)26(16)34)19-8-7-15(32)9-22(19)35-30(31)41/h2-4,7-11,14,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374783
PNG
(US10246467, Example I-88)
Show SMILES OC(=O)c1ccc2nn3[C@@H]4[C@H](CCOc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H25Cl2FN4O4/c32-17-7-8-20-23(13-17)35-30(41)31(20)25(18-2-1-3-21(33)26(18)34)27-24(37(31)14-15-4-5-15)10-11-42-28-19-12-16(29(39)40)6-9-22(19)36-38(27)28/h1-3,6-9,12-13,15,24-25,27H,4-5,10-11,14H2,(H,35,41)(H,39,40)/t24-,25-,27+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374789
PNG
(US10246467, Example I-109 | US10246467, Example I-...)
Show SMILES Cc1c(ccc2nn3[C@@H]4[C@H](COc3c12)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C31H25Cl2FN4O4/c1-14-17(29(39)40)8-10-21-24(14)28-38(36-21)27-23(13-42-28)37(12-15-5-6-15)31(25(27)18-3-2-4-20(33)26(18)34)19-9-7-16(32)11-22(19)35-30(31)41/h2-4,7-11,15,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,31+/s2
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n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374753
PNG
(US10246467, Example I-36 | US10246467, Example I-3...)
Show SMILES CC(C)CN1[C@H]2COc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C30H25Cl2FN4O4/c1-14(2)12-36-23-13-41-27-17-8-6-15(28(38)39)10-21(17)35-37(27)26(23)24(18-4-3-5-20(32)25(18)33)30(36)19-9-7-16(31)11-22(19)34-29(30)40/h3-11,14,23-24,26H,12-13H2,1-2H3,(H,34,40)(H,38,39)/t23-,24-,26+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374774
PNG
(US10246467, Example I-72)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Br)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C30H23BrClFN4O4/c31-20-3-1-2-18(25(20)33)24-26-23(13-41-27-17-8-6-15(28(38)39)10-21(17)35-37(26)27)36(12-14-4-5-14)30(24)19-9-7-16(32)11-22(19)34-29(30)40/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374775
PNG
(US10246467, Example I-74)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cc(Cl)cc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C30H22Cl3FN4O4/c31-15-4-6-19-22(10-15)35-29(41)30(19)24(18-8-16(32)9-20(33)25(18)34)26-23(37(30)11-13-1-2-13)12-42-27-17-5-3-14(28(39)40)7-21(17)36-38(26)27/h3-10,13,23-24,26H,1-2,11-12H2,(H,35,41)(H,39,40)/t23-,24-,26+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374776
PNG
(US10246467, Example I-76)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5ccc(F)c(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C30H22Cl2F2N4O4/c31-15-4-7-18-21(10-15)35-29(41)30(18)23(17-6-8-19(33)24(32)25(17)34)26-22(37(30)11-13-1-2-13)12-42-27-16-5-3-14(28(39)40)9-20(16)36-38(26)27/h3-10,13,22-23,26H,1-2,11-12H2,(H,35,41)(H,39,40)/t22-,23-,26+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374787
PNG
(US10246467, Example I-105)
Show SMILES OC(=O)c1cc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2cc1F
Show InChI InChI=1/C30H22Cl2F2N4O4/c31-14-6-7-18-22(8-14)35-29(41)30(18)24(15-2-1-3-19(32)25(15)34)26-23(37(30)11-13-4-5-13)12-42-27-17-9-16(28(39)40)20(33)10-21(17)36-38(26)27/h1-3,6-10,13,23-24,26H,4-5,11-12H2,(H,35,41)(H,39,40)/t23-,24-,26+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374786
PNG
(US10246467, Example I-92)
Show SMILES NC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5ccnc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C29H23Cl2FN6O3/c30-15-4-6-18-20(10-15)35-28(40)29(18)22(17-7-8-34-25(31)23(17)32)24-21(37(29)11-13-1-2-13)12-41-27-16-5-3-14(26(33)39)9-19(16)36-38(24)27/h3-10,13,21-22,24H,1-2,11-12H2,(H2,33,39)(H,35,40)/t21-,22-,24+,29+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374768
PNG
(US10246467, Example I-63)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CCCOC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C32H27Cl2FN4O5/c33-18-7-9-21-24(12-18)36-31(42)32(21)26(20-4-1-5-22(34)27(20)35)28-25(38(32)13-16-3-2-10-43-14-16)15-44-29-19-8-6-17(30(40)41)11-23(19)37-39(28)29/h1,4-9,11-12,16,25-26,28H,2-3,10,13-15H2,(H,36,42)(H,40,41)/t16?,25-,26-,28+,32+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374792
PNG
(US10246467, Example I-112)
Show SMILES Cc1cc2nn3[C@@H]4[C@H](COc3c2cc1C(O)=O)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H25Cl2FN4O4/c1-14-9-22-19(11-18(14)29(39)40)28-38(36-22)27-24(13-42-28)37(12-15-5-6-15)31(25(27)17-3-2-4-21(33)26(17)34)20-8-7-16(32)10-23(20)35-30(31)41/h2-4,7-11,15,24-25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t24-,25-,27+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374753
PNG
(US10246467, Example I-36 | US10246467, Example I-3...)
Show SMILES CC(C)CN1[C@H]2COc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C30H25Cl2FN4O4/c1-14(2)12-36-23-13-41-27-17-8-6-15(28(38)39)10-21(17)35-37(27)26(23)24(18-4-3-5-20(32)25(18)33)30(36)19-9-7-16(31)11-22(19)34-29(30)40/h3-11,14,23-24,26H,12-13H2,1-2H3,(H,34,40)(H,38,39)/t23-,24-,26+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374739
PNG
(US10246467, Example I-10 | US10246467, Example I-1...)
Show SMILES COc1cc2nn3[C@@H]4[C@H](COc3c2cc1C(O)=O)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H25Cl2FN4O5/c1-42-24-11-21-17(10-18(24)29(39)40)28-38(36-21)27-23(13-43-28)37(12-14-5-6-14)31(25(27)16-3-2-4-20(33)26(16)34)19-8-7-15(32)9-22(19)35-30(31)41/h2-4,7-11,14,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374788
PNG
(US10246467, Example I-107)
Show SMILES OC(=O)c1cc2nn3[C@@H]4[C@H](COc3c2cc1F)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C30H22Cl2F2N4O4/c31-14-6-7-18-22(8-14)35-29(41)30(18)24(15-2-1-3-19(32)25(15)34)26-23(37(30)11-13-4-5-13)12-42-27-17-9-20(33)16(28(39)40)10-21(17)36-38(26)27/h1-3,6-10,13,23-24,26H,4-5,11-12H2,(H,35,41)(H,39,40)/t23-,24-,26+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374760
PNG
(US10246467, Example I-47)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4(F)F)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C30H21Cl2F3N4O4/c31-15-5-7-18-21(9-15)36-28(42)30(18)23(17-2-1-3-19(32)24(17)33)25-22(38(30)11-14-10-29(14,34)35)12-43-26-16-6-4-13(27(40)41)8-20(16)37-39(25)26/h1-9,14,22-23,25H,10-12H2,(H,36,42)(H,40,41)/t14?,22-,23-,25+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374750
PNG
(US10246467, Example I-32 | US10246467, Example I-3...)
Show SMILES CC(C)(C)CN1[C@H]2COc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H27Cl2FN4O4/c1-30(2,3)14-37-23-13-42-27-17-9-7-15(28(39)40)11-21(17)36-38(27)26(23)24(18-5-4-6-20(33)25(18)34)31(37)19-10-8-16(32)12-22(19)35-29(31)41/h4-12,23-24,26H,13-14H2,1-3H3,(H,35,41)(H,39,40)/t23-,24-,26+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374758
PNG
(US10246467, Example I-43)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CCC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C31H25Cl2FN4O4/c32-17-8-10-20-23(12-17)35-30(41)31(20)25(19-5-2-6-21(33)26(19)34)27-24(37(31)13-15-3-1-4-15)14-42-28-18-9-7-16(29(39)40)11-22(18)36-38(27)28/h2,5-12,15,24-25,27H,1,3-4,13-14H2,(H,35,41)(H,39,40)/t24-,25-,27+,31+/s2
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n/an/a 20n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374784
PNG
(US10246467, Example I-90)
Show SMILES NC(=O)c1ccc2nn3[C@@H]4[C@H](COc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C30H24Cl2FN5O3/c31-16-7-8-19-22(11-16)35-29(40)30(19)24(17-2-1-3-20(32)25(17)33)26-23(37(30)12-14-4-5-14)13-41-28-18-10-15(27(34)39)6-9-21(18)36-38(26)28/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H2,34,39)(H,35,40)/t23-,24-,26+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374769
PNG
(US10246467, Example I-65)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CCOCC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C32H27Cl2FN4O5/c33-18-5-7-21-24(13-18)36-31(42)32(21)26(20-2-1-3-22(34)27(20)35)28-25(38(32)14-16-8-10-43-11-9-16)15-44-29-19-6-4-17(30(40)41)12-23(19)37-39(28)29/h1-7,12-13,16,25-26,28H,8-11,14-15H2,(H,36,42)(H,40,41)/t25-,26-,28+,32+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374767
PNG
(US10246467, Example I-61)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4C4CCCCCC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C33H29Cl2FN4O4/c34-18-11-13-22-25(15-18)37-32(43)33(22)27(21-8-5-9-23(35)28(21)36)29-26(39(33)19-6-3-1-2-4-7-19)16-44-30-20-12-10-17(31(41)42)14-24(20)38-40(29)30/h5,8-15,19,26-27,29H,1-4,6-7,16H2,(H,37,43)(H,41,42)/t26-,27-,29+,33+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374764
PNG
(US10246467, Example I-55)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4C4CCCC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C31H25Cl2FN4O4/c32-16-9-11-20-23(13-16)35-30(41)31(20)25(19-6-3-7-21(33)26(19)34)27-24(37(31)17-4-1-2-5-17)14-42-28-18-10-8-15(29(39)40)12-22(18)36-38(27)28/h3,6-13,17,24-25,27H,1-2,4-5,14H2,(H,35,41)(H,39,40)/t24-,25-,27+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374780
PNG
(US10246467, Example I-84)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4nc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C29H22Cl2FN5O4/c30-18-3-1-2-16(23(18)32)22-24-20(12-41-26-15-7-6-14(27(38)39)10-19(15)35-37(24)26)36(11-13-4-5-13)29(22)17-8-9-21(31)33-25(17)34-28(29)40/h1-3,6-10,13,20,22,24H,4-5,11-12H2,(H,38,39)(H,33,34,40)/t20-,22-,24+,29+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374781
PNG
(US10246467, Example I-86)
Show SMILES OC(=O)c1ccc2c3OCC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C31H25Cl2FN4O4/c32-17-7-9-20-23(13-17)35-30(41)31(20)25(19-2-1-3-21(33)26(19)34)27-24(37(31)14-15-4-5-15)10-11-42-28-18-8-6-16(29(39)40)12-22(18)36-38(27)28/h1-3,6-9,12-13,15,24-25,27H,4-5,10-11,14H2,(H,35,41)(H,39,40)/t24-,25-,27+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374766
PNG
(US10246467, Example I-59)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4C4CCCCC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C32H27Cl2FN4O4/c33-17-10-12-21-24(14-17)36-31(42)32(21)26(20-7-4-8-22(34)27(20)35)28-25(38(32)18-5-2-1-3-6-18)15-43-29-19-11-9-16(30(40)41)13-23(19)37-39(28)29/h4,7-14,18,25-26,28H,1-3,5-6,15H2,(H,36,42)(H,40,41)/t25-,26-,28+,32+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374782
PNG
(US10246467, Example I-87)
Show SMILES COc1cc2c3OCC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2cc1C(O)=O
Show InChI InChI=1/C32H27Cl2FN4O5/c1-43-25-13-18-22(12-19(25)30(40)41)37-39-28-24(9-10-44-29(18)39)38(14-15-5-6-15)32(26(28)17-3-2-4-21(34)27(17)35)20-8-7-16(33)11-23(20)36-31(32)42/h2-4,7-8,11-13,15,24,26,28H,5-6,9-10,14H2,1H3,(H,36,42)(H,40,41)/t24-,26-,28+,32+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374761
PNG
(US10246467, Example I-49)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CCCC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C32H27Cl2FN4O4/c33-18-9-11-21-24(13-18)36-31(42)32(21)26(20-6-3-7-22(34)27(20)35)28-25(38(32)14-16-4-1-2-5-16)15-43-29-19-10-8-17(30(40)41)12-23(19)37-39(28)29/h3,6-13,16,25-26,28H,1-2,4-5,14-15H2,(H,36,42)(H,40,41)/t25-,26-,28+,32+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374757
PNG
(US10246467, Example I-41)
Show SMILES CC(C)=CCN1[C@H]2COc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H25Cl2FN4O4/c1-15(2)10-11-37-24-14-42-28-18-8-6-16(29(39)40)12-22(18)36-38(28)27(24)25(19-4-3-5-21(33)26(19)34)31(37)20-9-7-17(32)13-23(20)35-30(31)41/h3-10,12-13,24-25,27H,11,14H2,1-2H3,(H,35,41)(H,39,40)/t24-,25-,27+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374762
PNG
(US10246467, Example I-51)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CCOC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C31H25Cl2FN4O5/c32-17-5-7-20-23(11-17)35-30(41)31(20)25(19-2-1-3-21(33)26(19)34)27-24(37(31)12-15-8-9-42-13-15)14-43-28-18-6-4-16(29(39)40)10-22(18)36-38(27)28/h1-7,10-11,15,24-25,27H,8-9,12-14H2,(H,35,41)(H,39,40)/t15?,24-,25-,27+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374756
PNG
(US10246467, Example I-39)
Show SMILES CC(C)CCN1[C@H]2COc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H27Cl2FN4O4/c1-15(2)10-11-37-24-14-42-28-18-8-6-16(29(39)40)12-22(18)36-38(28)27(24)25(19-4-3-5-21(33)26(19)34)31(37)20-9-7-17(32)13-23(20)35-30(31)41/h3-9,12-13,15,24-25,27H,10-11,14H2,1-2H3,(H,35,41)(H,39,40)/t24-,25-,27+,31+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374763
PNG
(US10246467, Example I-53)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CCCCC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C33H29Cl2FN4O4/c34-19-10-12-22-25(14-19)37-32(43)33(22)27(21-7-4-8-23(35)28(21)36)29-26(39(33)15-17-5-2-1-3-6-17)16-44-30-20-11-9-18(31(41)42)13-24(20)38-40(29)30/h4,7-14,17,26-27,29H,1-3,5-6,15-16H2,(H,37,43)(H,41,42)/t26-,27-,29+,33+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374746
PNG
(US10246467, Example I-28)
Show SMILES C[C@H]1Oc2n(nc3cc(ccc23)C(O)=O)[C@@H]2[C@H]1N(CC1CC1)[C@]1([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H25Cl2FN4O4/c1-14-26-27(38-28(42-14)18-9-7-16(29(39)40)11-22(18)36-38)24(19-3-2-4-21(33)25(19)34)31(37(26)13-15-5-6-15)20-10-8-17(32)12-23(20)35-30(31)41/h2-4,7-12,14-15,24,26-27H,5-6,13H2,1H3,(H,35,41)(H,39,40)/t14-,24+,26+,27+,31-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374742
PNG
(US10246467, Example I-13 | US10246467, Example I-1...)
Show SMILES CS(=O)(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C30H25Cl2FN4O4S/c1-42(39,40)17-8-9-18-22(12-17)35-37-27-24(14-41-28(18)37)36(13-15-5-6-15)30(25(27)19-3-2-4-21(32)26(19)33)20-10-7-16(31)11-23(20)34-29(30)38/h2-4,7-12,15,24-25,27H,5-6,13-14H2,1H3,(H,34,38)/t24-,25-,27+,30+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374765
PNG
(US10246467, Example I-57)
Show SMILES C[C@H]1CC(C[C@@H]1C)N1[C@H]2COc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C33H29Cl2FN4O4/c1-15-10-19(11-16(15)2)39-26-14-44-30-20-8-6-17(31(41)42)12-24(20)38-40(30)29(26)27(21-4-3-5-23(35)28(21)36)33(39)22-9-7-18(34)13-25(22)37-32(33)43/h3-9,12-13,15-16,19,26-27,29H,10-11,14H2,1-2H3,(H,37,43)(H,41,42)/t15-,16-,26-,27-,29+,33+/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374752
PNG
(US10246467, Example I-34)
Show SMILES OC(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CCC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C31H25Cl2FN4O4/c32-17-7-9-20-23(13-17)35-30(41)31(20)25(19-2-1-3-21(33)26(19)34)27-24(37(31)11-10-15-4-5-15)14-42-28-18-8-6-16(29(39)40)12-22(18)36-38(27)28/h1-3,6-9,12-13,15,24-25,27H,4-5,10-11,14H2,(H,35,41)(H,39,40)/t24-,25-,27+,31+/s2
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n/an/a 80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374742
PNG
(US10246467, Example I-13 | US10246467, Example I-1...)
Show SMILES CS(=O)(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C30H25Cl2FN4O4S/c1-42(39,40)17-8-9-18-22(12-17)35-37-27-24(14-41-28(18)37)36(13-15-5-6-15)30(25(27)19-3-2-4-21(32)26(19)33)20-10-7-16(31)11-23(20)34-29(30)38/h2-4,7-12,15,24-25,27H,5-6,13-14H2,1H3,(H,34,38)/t24-,25-,27+,30+/s2
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n/an/a 87n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374785
PNG
(US10246467, Example I-91)
Show SMILES CCN(CC)C(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C34H32Cl2FN5O3/c1-3-40(4-2)31(43)19-10-12-21-25(14-19)39-42-30-27(17-45-32(21)42)41(16-18-8-9-18)34(28(30)22-6-5-7-24(36)29(22)37)23-13-11-20(35)15-26(23)38-33(34)44/h5-7,10-15,18,27-28,30H,3-4,8-9,16-17H2,1-2H3,(H,38,44)/t27-,28-,30+,34+/s2
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n/an/a 95n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374759
PNG
(US10246467, Example I-45)
Show SMILES CC1CC1CN1[C@H]2COc3n(nc4cc(ccc34)C(O)=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H25Cl2FN4O4/c1-14-9-16(14)12-37-24-13-42-28-18-7-5-15(29(39)40)10-22(18)36-38(28)27(24)25(19-3-2-4-21(33)26(19)34)31(37)20-8-6-17(32)11-23(20)35-30(31)41/h2-8,10-11,14,16,24-25,27H,9,12-13H2,1H3,(H,35,41)(H,39,40)/t14?,16?,24-,25-,27+,31+/s2
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n/an/a 97n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374749
PNG
(US10246467, Example I-31)
Show SMILES C[C@@H]1Oc2n(nc3cc(ccc23)C(O)=O)[C@H]2[C@@H]1N(CC1CC1)[C@@]1([C@@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H25Cl2FN4O4/c1-14-26-27(38-28(42-14)18-9-7-16(29(39)40)11-22(18)36-38)24(19-3-2-4-21(33)25(19)34)31(37(26)13-15-5-6-15)20-10-8-17(32)12-23(20)35-30(31)41/h2-4,7-12,14-15,24,26-27H,5-6,13H2,1H3,(H,35,41)(H,39,40)/t14-,24+,26+,27+,31-/s2
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n/an/a 100n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374795
PNG
(US10246467, Example I-116)
Show SMILES OC(=O)c1cnc2nn3[C@H]4[C@@H](COc3c2c1)N(CC1CC1)[C@@]1([C@@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C29H22Cl2FN5O4/c30-15-6-7-18-20(9-15)34-28(40)29(18)22(16-2-1-3-19(31)23(16)32)24-21(36(29)11-13-4-5-13)12-41-26-17-8-14(27(38)39)10-33-25(17)35-37(24)26/h1-3,6-10,13,21-22,24H,4-5,11-12H2,(H,34,40)(H,38,39)/t21-,22-,24+,29+/s2
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n/an/a 144n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374744
PNG
(US10246467, Example I-15)
Show SMILES CS(=O)(=O)c1ccc2c3OC[C@@H]4[C@@H]([C@@H](c5cccc(Cl)c5F)[C@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C30H25Cl2FN4O4S/c1-42(39,40)17-8-9-18-22(12-17)35-37-27-24(14-41-28(18)37)36(13-15-5-6-15)30(25(27)19-3-2-4-21(32)26(19)33)20-10-7-16(31)11-23(20)34-29(30)38/h2-4,7-12,15,24-25,27H,5-6,13-14H2,1H3,(H,34,38)/t24-,25-,27+,30+/s2
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n/an/a 261n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374745
PNG
(US10246467, Example I-16)
Show SMILES COc1cc2nn3[C@@H]4[C@H](COc3c2cc1C#N)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H24Cl2FN5O3/c1-41-25-11-22-19(9-16(25)12-35)29-39(37-22)28-24(14-42-29)38(13-15-5-6-15)31(26(28)18-3-2-4-21(33)27(18)34)20-8-7-17(32)10-23(20)36-30(31)40/h2-4,7-11,15,24,26,28H,5-6,13-14H2,1H3,(H,36,40)/t24-,26-,28+,31+/s2
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n/an/a 331n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374747
PNG
(US10246467, Example I-29)
Show SMILES C[C@H]1Oc2n(nc3cc(ccc23)C(O)=O)[C@H]2[C@@H]1N(CC1CC1)[C@@]1([C@@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H25Cl2FN4O4/c1-14-26-27(38-28(42-14)18-9-7-16(29(39)40)11-22(18)36-38)24(19-3-2-4-21(33)25(19)34)31(37(26)13-15-5-6-15)20-10-8-17(32)12-23(20)35-30(31)41/h2-4,7-12,14-15,24,26-27H,5-6,13H2,1H3,(H,35,41)(H,39,40)/t14-,24-,26-,27-,31+/s2
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n/an/a 520n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374732
PNG
(US10246467, Example I-3)
Show SMILES OC(=O)c1ccc2c3OC[C@@H]4[C@@H]([C@@H](c5cccc(Cl)c5F)[C@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1
Show InChI InChI=1/C30H23Cl2FN4O4/c31-16-7-9-19-22(11-16)34-29(40)30(19)24(18-2-1-3-20(32)25(18)33)26-23(36(30)12-14-4-5-14)13-41-27-17-8-6-15(28(38)39)10-21(17)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,30+/s2
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n/an/a 557n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374791
PNG
(US10246467, Example I-111)
Show SMILES Cc1c(ccc2nn3[C@H]4[C@@H](COc3c12)N(CC1CC1)[C@@]1([C@@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1/C31H25Cl2FN4O4/c1-14-17(29(39)40)8-10-21-24(14)28-38(36-21)27-23(13-42-28)37(12-15-5-6-15)31(25(27)18-3-2-4-20(33)26(18)34)19-9-7-16(32)11-22(19)35-30(31)41/h2-4,7-11,15,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,31+/s2
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n/an/a 617n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374735
PNG
(US10246467, Example I-6)
Show SMILES OC(=O)c1ccc2nn3[C@H]4[C@@H](COc3c2c1)N(CC1CC1)[C@@]1([C@@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C30H23Cl2FN4O4/c31-16-7-8-19-22(11-16)34-29(40)30(19)24(17-2-1-3-20(32)25(17)33)26-23(36(30)12-14-4-5-14)13-41-27-18-10-15(28(38)39)6-9-21(18)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,30+/s2
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n/an/a 619n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374755
PNG
(US10246467, Example I-38)
Show SMILES CC(C)CN1[C@@H]2COc3n(nc4cc(ccc34)C(O)=O)[C@@H]2[C@@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C30H25Cl2FN4O4/c1-14(2)12-36-23-13-41-27-17-8-6-15(28(38)39)10-21(17)35-37(27)26(23)24(18-4-3-5-20(32)25(18)33)30(36)19-9-7-16(31)11-22(19)34-29(30)40/h3-11,14,23-24,26H,12-13H2,1-2H3,(H,34,40)(H,38,39)/t23-,24-,26+,30+/s2
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n/an/a 797n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374738
PNG
(US10246467, Example I-9)
Show SMILES COc1cc2c3OC[C@@H]4[C@@H]([C@@H](c5cccc(Cl)c5F)[C@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2cc1C(O)=O
Show InChI InChI=1/C31H25Cl2FN4O5/c1-42-24-11-17-21(10-18(24)29(39)40)36-38-27-23(13-43-28(17)38)37(12-14-5-6-14)31(25(27)16-3-2-4-20(33)26(16)34)19-8-7-15(32)9-22(19)35-30(31)41/h2-4,7-11,14,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,31+/s2
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n/an/a 818n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374741
PNG
(US10246467, Example I-12)
Show SMILES COc1cc2nn3[C@H]4[C@@H](COc3c2cc1C(O)=O)N(CC1CC1)[C@@]1([C@@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1/C31H25Cl2FN4O5/c1-42-24-11-21-17(10-18(24)29(39)40)28-38(36-21)27-23(13-43-28)37(12-14-5-6-14)31(25(27)16-3-2-4-20(33)26(16)34)19-8-7-15(32)9-22(19)35-30(31)41/h2-4,7-11,14,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,31+/s2
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n/an/a 986n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

More data for this
Ligand-Target Pair
MDM2/P53


(Homo sapiens (Human))
BDBM374772
PNG
(US10246467, Example I-69)
Show SMILES CCOc1cccc(CN2[C@@H]3COc4n(nc5cc(ccc45)C(O)=O)[C@@H]3[C@@H](c3cccc(Cl)c3F)[C@@]22C(=O)Nc3cc(Cl)ccc23)c1
Show InChI InChI=1/C35H27Cl2FN4O5/c1-2-46-21-6-3-5-18(13-21)16-41-28-17-47-32-22-11-9-19(33(43)44)14-26(22)40-42(32)31(28)29(23-7-4-8-25(37)30(23)38)35(41)24-12-10-20(36)15-27(24)39-34(35)45/h3-15,28-29,31H,2,16-17H2,1H3,(H,39,45)(H,43,44)/t28-,29-,31+,35+/s2
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n/an/a 2.14E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...


US Patent US10246467 (2019)

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