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Patent code US10576064

Compile Data Set for Download or QSAR
Found 115 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-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431985
PNG
(US10576064, Example I-185 | US10576064, Example I-...)
Show SMILES CCOc1cccc(CN2[C@H]3CCN(C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C36H30Cl2FN3O5/c1-2-47-24-6-3-5-20(17-24)19-42-29-15-16-41(23-12-9-21(10-13-23)34(44)45)33(43)30(29)31(25-7-4-8-27(38)32(25)39)36(42)26-14-11-22(37)18-28(26)40-35(36)46/h3-14,17-18,29-31H,2,15-16,19H2,1H3,(H,40,46)(H,44,45)/t29-,30+,31-,36+/m0/s1
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n/an/a 2n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432016
PNG
(US10576064, Example I-237 | US10576064, Example I-...)
Show SMILES CCOc1cccc(CN2[C@H]3CN(C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C35H28Cl2FN3O5/c1-2-46-23-6-3-5-19(15-23)17-41-28-18-40(22-12-9-20(10-13-22)33(43)44)32(42)29(28)30(24-7-4-8-26(37)31(24)38)35(41)25-14-11-21(36)16-27(25)39-34(35)45/h3-16,28-30H,2,17-18H2,1H3,(H,39,45)(H,43,44)/t28-,29+,30-,35+/m0/s1
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n/an/a 2n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432016
PNG
(US10576064, Example I-237 | US10576064, Example I-...)
Show SMILES CCOc1cccc(CN2[C@H]3CN(C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C35H28Cl2FN3O5/c1-2-46-23-6-3-5-19(15-23)17-41-28-18-40(22-12-9-20(10-13-22)33(43)44)32(42)29(28)30(24-7-4-8-26(37)31(24)38)35(41)25-14-11-21(36)16-27(25)39-34(35)45/h3-16,28-30H,2,17-18H2,1H3,(H,39,45)(H,43,44)/t28-,29+,30-,35+/m0/s1
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n/an/a 2n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431985
PNG
(US10576064, Example I-185 | US10576064, Example I-...)
Show SMILES CCOc1cccc(CN2[C@H]3CCN(C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C36H30Cl2FN3O5/c1-2-47-24-6-3-5-20(17-24)19-42-29-15-16-41(23-12-9-21(10-13-23)34(44)45)33(43)30(29)31(25-7-4-8-27(38)32(25)39)36(42)26-14-11-22(37)18-28(26)40-35(36)46/h3-14,17-18,29-31H,2,15-16,19H2,1H3,(H,40,46)(H,44,45)/t29-,30+,31-,36+/m0/s1
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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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432043
PNG
(US10576064, Example I-284)
Show SMILES CCOc1cccc(CN2[C@H]3CN(C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2)C(N)=O)c1
Show InChI InChI=1S/C35H29Cl2FN4O4/c1-2-46-23-6-3-5-19(15-23)17-42-28-18-41(22-12-9-20(10-13-22)32(39)43)33(44)29(28)30(24-7-4-8-26(37)31(24)38)35(42)25-14-11-21(36)16-27(25)40-34(35)45/h3-16,28-30H,2,17-18H2,1H3,(H2,39,43)(H,40,45)/t28-,29+,30-,35+/m0/s1
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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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432019
PNG
(US10576064, Example I-240)
Show SMILES CCOc1cccc(CN2[C@H]3CN(C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3nc(Cl)ccc23)c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C34H27Cl2FN4O5/c1-2-46-21-6-3-5-18(15-21)16-41-25-17-40(20-11-9-19(10-12-20)32(43)44)31(42)27(25)28(22-7-4-8-24(35)29(22)37)34(41)23-13-14-26(36)38-30(23)39-33(34)45/h3-15,25,27-28H,2,16-17H2,1H3,(H,43,44)(H,38,39,45)/t25-,27+,28-,34+/m0/s1
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n/an/a 4n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432028
PNG
(US10576064, Example I-258)
Show SMILES COc1cc(ccc1C(O)=O)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H26Cl2FN3O5/c1-42-24-12-17(8-9-18(24)29(39)40)36-14-23-25(28(36)38)26(19-3-2-4-21(33)27(19)34)31(37(23)13-15-5-6-15)20-10-7-16(32)11-22(20)35-30(31)41/h2-4,7-12,15,23,25-26H,5-6,13-14H2,1H3,(H,35,41)(H,39,40)/t23-,25+,26-,31+/m0/s1
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n/an/a 4n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432021
PNG
(US10576064, Example I-244)
Show SMILES OC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3ccnc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C29H23Cl2FN4O4/c30-16-5-8-19-20(11-16)34-28(40)29(19)23(18-9-10-33-25(31)24(18)32)22-21(36(29)12-14-1-2-14)13-35(26(22)37)17-6-3-15(4-7-17)27(38)39/h3-11,14,21-23H,1-2,12-13H2,(H,34,40)(H,38,39)/t21-,22+,23-,29+/m0/s1
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n/an/a 4n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431975
PNG
(US10576064, Example I-170 | US10576064, Example I-...)
Show SMILES OC(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H26Cl2FN3O4/c32-18-8-11-21-23(14-18)35-30(41)31(21)26(20-2-1-3-22(33)27(20)34)25-24(37(31)15-16-4-5-16)12-13-36(28(25)38)19-9-6-17(7-10-19)29(39)40/h1-3,6-11,14,16,24-26H,4-5,12-13,15H2,(H,35,41)(H,39,40)/t24-,25+,26-,31+/m0/s1
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n/an/a 4n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432042
PNG
(US10576064, Example I-283)
Show SMILES CCOc1cccc(CN2[C@H]3CN(C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2)C(=O)NO)c1
Show InChI InChI=1S/C35H29Cl2FN4O5/c1-2-47-23-6-3-5-19(15-23)17-42-28-18-41(22-12-9-20(10-13-22)32(43)40-46)33(44)29(28)30(24-7-4-8-26(37)31(24)38)35(42)25-14-11-21(36)16-27(25)39-34(35)45/h3-16,28-30,46H,2,17-18H2,1H3,(H,39,45)(H,40,43)/t28-,29+,30-,35+/m0/s1
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n/an/a 4n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432030
PNG
(US10576064, Example I-261)
Show SMILES Cc1cc(ccc1C(O)=O)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H26Cl2FN3O4/c1-15-11-18(8-9-19(15)29(39)40)36-14-24-25(28(36)38)26(20-3-2-4-22(33)27(20)34)31(37(24)13-16-5-6-16)21-10-7-17(32)12-23(21)35-30(31)41/h2-4,7-12,16,24-26H,5-6,13-14H2,1H3,(H,35,41)(H,39,40)/t24-,25+,26-,31+/m0/s1
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n/an/a 5n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432011
PNG
(US10576064, Example I-230)
Show SMILES OC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC(F)(F)C2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H24Cl2F3N3O4/c32-17-6-9-20-22(10-17)37-29(43)31(20)25(19-2-1-3-21(33)26(19)34)24-23(39(31)13-15-11-30(35,36)12-15)14-38(27(24)40)18-7-4-16(5-8-18)28(41)42/h1-10,15,23-25H,11-14H2,(H,37,43)(H,41,42)/t23-,24+,25-,31+/m0/s1
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n/an/a 5n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432001
PNG
(US10576064, Example I-216 | US10576064, Example I-...)
Show SMILES OC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C30H24Cl2FN3O4/c31-17-8-11-20-22(12-17)34-29(40)30(20)25(19-2-1-3-21(32)26(19)33)24-23(36(30)13-15-4-5-15)14-35(27(24)37)18-9-6-16(7-10-18)28(38)39/h1-3,6-12,15,23-25H,4-5,13-14H2,(H,34,40)(H,38,39)/t23-,24+,25-,30+/m0/s1
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n/an/a 5n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432009
PNG
(US10576064, Example I-228 | US10576064, Example I-...)
Show SMILES CC(C)(C)CN1[C@H]2CN(C(=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H28Cl2FN3O4/c1-30(2,3)15-37-23-14-36(18-10-7-16(8-11-18)28(39)40)27(38)24(23)25(19-5-4-6-21(33)26(19)34)31(37)20-12-9-17(32)13-22(20)35-29(31)41/h4-13,23-25H,14-15H2,1-3H3,(H,35,41)(H,39,40)/t23-,24+,25-,31+/m0/s1
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n/an/a 5n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432001
PNG
(US10576064, Example I-216 | US10576064, Example I-...)
Show SMILES OC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C30H24Cl2FN3O4/c31-17-8-11-20-22(12-17)34-29(40)30(20)25(19-2-1-3-21(32)26(19)33)24-23(36(30)13-15-4-5-15)14-35(27(24)37)18-9-6-16(7-10-18)28(38)39/h1-3,6-12,15,23-25H,4-5,13-14H2,(H,34,40)(H,38,39)/t23-,24+,25-,30+/m0/s1
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n/an/a 6n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432040
PNG
(US10576064, Example I-280)
Show SMILES NC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C30H25Cl2FN4O3/c31-17-8-11-20-22(12-17)35-29(40)30(20)25(19-2-1-3-21(32)26(19)33)24-23(37(30)13-15-4-5-15)14-36(28(24)39)18-9-6-16(7-10-18)27(34)38/h1-3,6-12,15,23-25H,4-5,13-14H2,(H2,34,38)(H,35,40)/t23-,24+,25-,30+/m0/s1
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n/an/a 7n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432005
PNG
(US10576064, Example I-221)
Show SMILES OC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CCC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H26Cl2FN3O4/c32-18-9-12-21-23(13-18)35-30(41)31(21)26(20-5-2-6-22(33)27(20)34)25-24(37(31)14-16-3-1-4-16)15-36(28(25)38)19-10-7-17(8-11-19)29(39)40/h2,5-13,16,24-26H,1,3-4,14-15H2,(H,35,41)(H,39,40)/t24-,25+,26-,31+/m0/s1
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n/an/a 7n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432047
PNG
(US10576064, Example I-288)
Show SMILES NC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3ccnc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C29H24Cl2FN5O3/c30-16-5-8-19-20(11-16)35-28(40)29(19)23(18-9-10-34-25(31)24(18)32)22-21(37(29)12-14-1-2-14)13-36(27(22)39)17-6-3-15(4-7-17)26(33)38/h3-11,14,21-23H,1-2,12-13H2,(H2,33,38)(H,35,40)/t21-,22+,23-,29+/m0/s1
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n/an/a 8n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432046
PNG
(US10576064, Example I-287)
Show SMILES CNC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H27Cl2FN4O3/c1-35-28(39)17-7-10-19(11-8-17)37-15-24-25(29(37)40)26(20-3-2-4-22(33)27(20)34)31(38(24)14-16-5-6-16)21-12-9-18(32)13-23(21)36-30(31)41/h2-4,7-13,16,24-26H,5-6,14-15H2,1H3,(H,35,39)(H,36,41)/t24-,25+,26-,31+/m0/s1
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n/an/a 8n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431955
PNG
(US10576064, Example I-43)
Show SMILES CCOc1cccc(CN2[C@H]3CNC(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C28H24Cl2FN3O3/c1-2-37-17-6-3-5-15(11-17)14-34-22-13-32-26(35)23(22)24(18-7-4-8-20(30)25(18)31)28(34)19-10-9-16(29)12-21(19)33-27(28)36/h3-12,22-24H,2,13-14H2,1H3,(H,32,35)(H,33,36)/t22-,23+,24-,28+/m0/s1
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n/an/a 8n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432044
PNG
(US10576064, Example I-285)
Show SMILES ONC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C30H25Cl2FN4O4/c31-17-8-11-20-22(12-17)34-29(40)30(20)25(19-2-1-3-21(32)26(19)33)24-23(37(30)13-15-4-5-15)14-36(28(24)39)18-9-6-16(7-10-18)27(38)35-41/h1-3,6-12,15,23-25,41H,4-5,13-14H2,(H,34,40)(H,35,38)/t23-,24+,25-,30+/m0/s1
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n/an/a 8n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432026
PNG
(US10576064, Example I-254)
Show SMILES OC(=O)c1ccc(cc1F)N1C[C@H]2[C@H]([C@H](c3cccc(Br)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C30H23BrClF2N3O4/c31-20-3-1-2-18(26(20)34)25-24-23(13-36(27(24)38)16-7-8-17(28(39)40)21(33)11-16)37(12-14-4-5-14)30(25)19-9-6-15(32)10-22(19)35-29(30)41/h1-3,6-11,14,23-25H,4-5,12-13H2,(H,35,41)(H,39,40)/t23-,24+,25-,30+/m0/s1
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n/an/a 9n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432013
PNG
(US10576064, Example I-233)
Show SMILES OC(=O)c1csc(n1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C27H21Cl2FN4O4S/c28-13-6-7-15-17(8-13)31-25(38)27(15)21(14-2-1-3-16(29)22(14)30)20-19(34(27)9-12-4-5-12)10-33(23(20)35)26-32-18(11-39-26)24(36)37/h1-3,6-8,11-12,19-21H,4-5,9-10H2,(H,31,38)(H,36,37)/t19-,20+,21-,27+/m0/s1
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n/an/a 9n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432024
PNG
(US10576064, Example I-250)
Show SMILES COc1cc(ccc1C(O)=O)N1C[C@H]2[C@H]([C@H](c3cccc(Br)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H26BrClFN3O5/c1-42-24-12-17(8-9-18(24)29(39)40)36-14-23-25(28(36)38)26(19-3-2-4-21(32)27(19)34)31(37(23)13-15-5-6-15)20-10-7-16(33)11-22(20)35-30(31)41/h2-4,7-12,15,23,25-26H,5-6,13-14H2,1H3,(H,35,41)(H,39,40)/t23-,25+,26-,31+/m0/s1
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n/an/a 9n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432025
PNG
(US10576064, Example I-252)
Show SMILES OC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Br)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C30H24BrClFN3O4/c31-21-3-1-2-19(26(21)33)25-24-23(14-35(27(24)37)18-9-6-16(7-10-18)28(38)39)36(13-15-4-5-15)30(25)20-11-8-17(32)12-22(20)34-29(30)40/h1-3,6-12,15,23-25H,4-5,13-14H2,(H,34,40)(H,38,39)/t23-,24+,25-,30+/m0/s1
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n/an/a 9n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431984
PNG
(US10576064, Example I-183)
Show SMILES OC(=O)c1ccc(cn1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C30H25Cl2FN4O4/c31-16-6-8-19-22(12-16)35-29(41)30(19)25(18-2-1-3-20(32)26(18)33)24-23(37(30)14-15-4-5-15)10-11-36(27(24)38)17-7-9-21(28(39)40)34-13-17/h1-3,6-9,12-13,15,23-25H,4-5,10-11,14H2,(H,35,41)(H,39,40)/t23-,24+,25-,30+/m0/s1
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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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432045
PNG
(US10576064, Example I-286)
Show SMILES CN(C)C(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C32H29Cl2FN4O3/c1-37(2)29(40)18-8-11-20(12-9-18)38-16-25-26(30(38)41)27(21-4-3-5-23(34)28(21)35)32(39(25)15-17-6-7-17)22-13-10-19(33)14-24(22)36-31(32)42/h3-5,8-14,17,25-27H,6-7,15-16H2,1-2H3,(H,36,42)/t25-,26+,27-,32+/m0/s1
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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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432009
PNG
(US10576064, Example I-228 | US10576064, Example I-...)
Show SMILES CC(C)(C)CN1[C@H]2CN(C(=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C31H28Cl2FN3O4/c1-30(2,3)15-37-23-14-36(18-10-7-16(8-11-18)28(39)40)27(38)24(23)25(19-5-4-6-21(33)26(19)34)31(37)20-12-9-17(32)13-22(20)35-29(31)41/h4-13,23-25H,14-15H2,1-3H3,(H,35,41)(H,39,40)/t23-,24+,25-,31+/m0/s1
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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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431975
PNG
(US10576064, Example I-170 | US10576064, Example I-...)
Show SMILES OC(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H26Cl2FN3O4/c32-18-8-11-21-23(14-18)35-30(41)31(21)26(20-2-1-3-22(33)27(20)34)25-24(37(31)15-16-4-5-16)12-13-36(28(25)38)19-9-6-17(7-10-19)29(39)40/h1-3,6-11,14,16,24-26H,4-5,12-13,15H2,(H,35,41)(H,39,40)/t24-,25+,26-,31+/m0/s1
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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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432029
PNG
(US10576064, Example I-259)
Show SMILES OC(=O)c1ccc(cc1OC(F)(F)F)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H23Cl2F4N3O5/c32-15-6-9-19-21(10-15)38-29(44)30(19)25(18-2-1-3-20(33)26(18)34)24-22(40(30)12-14-4-5-14)13-39(27(24)41)16-7-8-17(28(42)43)23(11-16)45-31(35,36)37/h1-3,6-11,14,22,24-25H,4-5,12-13H2,(H,38,44)(H,42,43)/t22-,24+,25-,30+/m0/s1
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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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432012
PNG
(US10576064, Example I-231)
Show SMILES OC(=O)C(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H24Cl2FN3O5/c32-17-8-11-20-22(12-17)35-30(42)31(20)25(19-2-1-3-21(33)26(19)34)24-23(37(31)13-15-4-5-15)14-36(28(24)39)18-9-6-16(7-10-18)27(38)29(40)41/h1-3,6-12,15,23-25H,4-5,13-14H2,(H,35,42)(H,40,41)/t23-,24+,25-,31+/m0/s1
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n/an/a 12n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432008
PNG
(US10576064, Example I-226)
Show SMILES OC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CCC(F)(F)F)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C29H21Cl2F4N3O4/c30-15-6-9-18-20(12-15)36-27(42)29(18)23(17-2-1-3-19(31)24(17)32)22-21(38(29)11-10-28(33,34)35)13-37(25(22)39)16-7-4-14(5-8-16)26(40)41/h1-9,12,21-23H,10-11,13H2,(H,36,42)(H,40,41)/t21-,22+,23-,29+/m0/s1
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n/an/a 12n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431995
PNG
(US10576064, Example I-204)
Show SMILES OC(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Br)ccc32)C1=O
Show InChI InChI=1S/C31H26BrClFN3O4/c32-18-8-11-21-23(14-18)35-30(41)31(21)26(20-2-1-3-22(33)27(20)34)25-24(37(31)15-16-4-5-16)12-13-36(28(25)38)19-9-6-17(7-10-19)29(39)40/h1-3,6-11,14,16,24-26H,4-5,12-13,15H2,(H,35,41)(H,39,40)/t24-,25+,26-,31+/m0/s1
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n/an/a 15n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431987
PNG
(US10576064, Example I-188)
Show SMILES CCOc1cccc(CN2[C@H]3CCN(C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2[N+]([O-])=O)C(O)=O)c1
Show InChI InChI=1S/C36H29Cl2FN4O7/c1-2-50-22-6-3-5-19(15-22)18-42-28-13-14-41(27-12-9-20(34(45)46)16-29(27)43(48)49)33(44)30(28)31(23-7-4-8-25(38)32(23)39)36(42)24-11-10-21(37)17-26(24)40-35(36)47/h3-12,15-17,28,30-31H,2,13-14,18H2,1H3,(H,40,47)(H,45,46)/t28-,30+,31-,36+/m0/s1
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n/an/a 16n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431981
PNG
(US10576064, Example I-177)
Show SMILES OC(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H27Cl2N3O4/c32-20-3-1-2-19(14-20)27-26-25(12-13-35(28(26)37)22-9-6-18(7-10-22)29(38)39)36(16-17-4-5-17)31(27)23-11-8-21(33)15-24(23)34-30(31)40/h1-3,6-11,14-15,17,25-27H,4-5,12-13,16H2,(H,34,40)(H,38,39)/t25-,26+,27-,31+/m0/s1
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n/an/a 16n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432007
PNG
(US10576064, Example I-224)
Show SMILES COCCN1[C@H]2CN(C(=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C29H24Cl2FN3O5/c1-40-12-11-35-22-14-34(17-8-5-15(6-9-17)27(37)38)26(36)23(22)24(18-3-2-4-20(31)25(18)32)29(35)19-10-7-16(30)13-21(19)33-28(29)39/h2-10,13,22-24H,11-12,14H2,1H3,(H,33,39)(H,37,38)/t22-,23+,24-,29+/m0/s1
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n/an/a 17n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431939
PNG
(US10576064, Example I-5)
Show SMILES CCOc1cccc(CN2[C@H]3CCNC(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C29H26Cl2FN3O3/c1-2-38-18-6-3-5-16(13-18)15-35-23-11-12-33-27(36)24(23)25(19-7-4-8-21(31)26(19)32)29(35)20-10-9-17(30)14-22(20)34-28(29)37/h3-10,13-14,23-25H,2,11-12,15H2,1H3,(H,33,36)(H,34,37)/t23-,24+,25-,29+/m0/s1
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n/an/a 17n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432022
PNG
(US10576064, Example I-246)
Show SMILES CCOc1cccc(CN2[C@H]3CN(Cc4ccc(cc4)C(O)=O)C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C36H30Cl2FN3O5/c1-2-47-24-6-3-5-21(15-24)18-42-29-19-41(17-20-9-11-22(12-10-20)34(44)45)33(43)30(29)31(25-7-4-8-27(38)32(25)39)36(42)26-14-13-23(37)16-28(26)40-35(36)46/h3-16,29-31H,2,17-19H2,1H3,(H,40,46)(H,44,45)/t29-,30+,31-,36+/m0/s1
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n/an/a 17n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431960
PNG
(US10576064, Example I-72)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@H]2[C@H](CCN(C2=O)c2ccc(cc2)-c2nnn[nH]2)N(CC2CC2)[C@@]11C(=O)Nc2cc(Cl)ccc12
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n/an/a 17n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432033
PNG
(US10576064, Example I-266)
Show SMILES Oc1c(F)cc(cc1F)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C30H24Cl2F3N3O3/c31-15-6-7-18-22(10-15)36-29(41)30(18)25(17-2-1-3-19(32)26(17)35)24-23(38(30)13-14-4-5-14)8-9-37(28(24)40)16-11-20(33)27(39)21(34)12-16/h1-3,6-7,10-12,14,23-25,39H,4-5,8-9,13H2,(H,36,41)/t23-,24+,25-,30+/m0/s1
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n/an/a 19n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432037
PNG
(US10576064, Example I-274)
Show SMILES ONC(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H27Cl2FN4O4/c32-18-8-11-21-23(14-18)35-30(41)31(21)26(20-2-1-3-22(33)27(20)34)25-24(38(31)15-16-4-5-16)12-13-37(29(25)40)19-9-6-17(7-10-19)28(39)36-42/h1-3,6-11,14,16,24-26,42H,4-5,12-13,15H2,(H,35,41)(H,36,39)/t24-,25+,26-,31+/m0/s1
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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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431991
PNG
(US10576064, Example I-196)
Show SMILES CC1CC1CN1[C@H]2CCN(C(=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H28Cl2FN3O4/c1-16-13-18(16)15-38-25-11-12-37(20-8-5-17(6-9-20)30(40)41)29(39)26(25)27(21-3-2-4-23(34)28(21)35)32(38)22-10-7-19(33)14-24(22)36-31(32)42/h2-10,14,16,18,25-27H,11-13,15H2,1H3,(H,36,42)(H,40,41)/t16?,18?,25-,26+,27-,32+/m0/s1
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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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432031
PNG
(US10576064, Example I-262)
Show SMILES OCC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H26Cl2FN3O4/c32-18-8-11-21-23(12-18)35-30(41)31(21)27(20-2-1-3-22(33)28(20)34)26-24(37(31)13-16-4-5-16)14-36(29(26)40)19-9-6-17(7-10-19)25(39)15-38/h1-3,6-12,16,24,26-27,38H,4-5,13-15H2,(H,35,41)/t24-,26+,27-,31+/m0/s1
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n/an/a 21n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431999
PNG
(US10576064, Example I-212)
Show SMILES CCOc1cccc(CN2[C@H]3CCN(Cc4ccc(cc4)C(O)=O)C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C37H32Cl2FN3O5/c1-2-48-25-6-3-5-22(17-25)20-43-30-15-16-42(19-21-9-11-23(12-10-21)35(45)46)34(44)31(30)32(26-7-4-8-28(39)33(26)40)37(43)27-14-13-24(38)18-29(27)41-36(37)47/h3-14,17-18,30-32H,2,15-16,19-20H2,1H3,(H,41,47)(H,45,46)/t30-,31+,32-,37+/m0/s1
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n/an/a 21n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432036
PNG
(US10576064, Example I-272)
Show SMILES CN(C)C(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C33H31Cl2FN4O3/c1-38(2)30(41)19-8-11-21(12-9-19)39-15-14-26-27(31(39)42)28(22-4-3-5-24(35)29(22)36)33(40(26)17-18-6-7-18)23-13-10-20(34)16-25(23)37-32(33)43/h3-5,8-13,16,18,26-28H,6-7,14-15,17H2,1-2H3,(H,37,43)/t26-,27+,28-,33+/m0/s1
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n/an/a 25n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432034
PNG
(US10576064, Example I-268)
Show SMILES NC(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H27Cl2FN4O3/c32-18-8-11-21-23(14-18)36-30(41)31(21)26(20-2-1-3-22(33)27(20)34)25-24(38(31)15-16-4-5-16)12-13-37(29(25)40)19-9-6-17(7-10-19)28(35)39/h1-3,6-11,14,16,24-26H,4-5,12-13,15H2,(H2,35,39)(H,36,41)/t24-,25+,26-,31+/m0/s1
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n/an/a 26n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432035
PNG
(US10576064, Example I-270)
Show SMILES CNC(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C32H29Cl2FN4O3/c1-36-29(40)18-7-10-20(11-8-18)38-14-13-25-26(30(38)41)27(21-3-2-4-23(34)28(21)35)32(39(25)16-17-5-6-17)22-12-9-19(33)15-24(22)37-31(32)42/h2-4,7-12,15,17,25-27H,5-6,13-14,16H2,1H3,(H,36,40)(H,37,42)/t25-,26+,27-,32+/m0/s1
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n/an/a 27n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432027
PNG
(US10576064, Example I-256)
Show SMILES OC(=O)c1ccc(cc1C(F)(F)F)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H23Cl2F4N3O4/c32-15-6-9-19-22(10-15)38-29(44)30(19)25(18-2-1-3-21(33)26(18)34)24-23(40(30)12-14-4-5-14)13-39(27(24)41)16-7-8-17(28(42)43)20(11-16)31(35,36)37/h1-3,6-11,14,23-25H,4-5,12-13H2,(H,38,44)(H,42,43)/t23-,24+,25-,30+/m0/s1
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n/an/a 27n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431992
PNG
(US10576064, Example I-198)
Show SMILES OC(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CCC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C32H28Cl2FN3O4/c33-19-9-12-22-24(15-19)36-31(42)32(22)27(21-5-2-6-23(34)28(21)35)26-25(38(32)16-17-3-1-4-17)13-14-37(29(26)39)20-10-7-18(8-11-20)30(40)41/h2,5-12,15,17,25-27H,1,3-4,13-14,16H2,(H,36,42)(H,40,41)/t25-,26+,27-,32+/m0/s1
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n/an/a 27n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431979
PNG
(US10576064, Example I-173)
Show SMILES OC(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)c(F)cc32)C1=O
Show InChI InChI=1S/C31H25Cl2F2N3O4/c32-20-3-1-2-18(27(20)35)26-25-24(10-11-37(28(25)39)17-8-6-16(7-9-17)29(40)41)38(14-15-4-5-15)31(26)19-12-22(34)21(33)13-23(19)36-30(31)42/h1-3,6-9,12-13,15,24-26H,4-5,10-11,14H2,(H,36,42)(H,40,41)/t24-,25+,26-,31+/m0/s1
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n/an/a 29n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431941
PNG
(US10576064, Example I-27 | US10576064, Example I-9)
Show SMILES CCOc1cccc(CN2[C@H]3CCNC(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3nc(Cl)ccc23)c1
Show InChI InChI=1S/C28H25Cl2FN4O3/c1-2-38-16-6-3-5-15(13-16)14-35-20-11-12-32-26(36)22(20)23(17-7-4-8-19(29)24(17)31)28(35)18-9-10-21(30)33-25(18)34-27(28)37/h3-10,13,20,22-23H,2,11-12,14H2,1H3,(H,32,36)(H,33,34,37)/t20-,22+,23-,28+/m0/s1
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n/an/a 30n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431940
PNG
(US10576064, Example I-7)
Show SMILES CCOc1cccc(CN2[C@H]3CCNC(=O)[C@H]3[C@H](c3cccc(Cl)c3)[C@]22C(=O)Nc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C29H27Cl2N3O3/c1-2-37-21-8-3-5-17(13-21)16-34-24-11-12-32-27(35)25(24)26(18-6-4-7-19(30)14-18)29(34)22-10-9-20(31)15-23(22)33-28(29)36/h3-10,13-15,24-26H,2,11-12,16H2,1H3,(H,32,35)(H,33,36)/t24-,25+,26-,29+/m0/s1
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n/an/a 30n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431941
PNG
(US10576064, Example I-27 | US10576064, Example I-9)
Show SMILES CCOc1cccc(CN2[C@H]3CCNC(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3nc(Cl)ccc23)c1
Show InChI InChI=1S/C28H25Cl2FN4O3/c1-2-38-16-6-3-5-15(13-16)14-35-20-11-12-32-26(36)22(20)23(17-7-4-8-19(29)24(17)31)28(35)18-9-10-21(30)33-25(18)34-27(28)37/h3-10,13,20,22-23H,2,11-12,14H2,1H3,(H,32,36)(H,33,34,37)/t20-,22+,23-,28+/m0/s1
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n/an/a 30n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432004
PNG
(US10576064, Example I-219)
Show SMILES COc1cc(ccc1N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O)C(O)=O
Show InChI InChI=1S/C31H26Cl2FN3O5/c1-42-24-11-16(29(39)40)7-10-22(24)36-14-23-25(28(36)38)26(18-3-2-4-20(33)27(18)34)31(37(23)13-15-5-6-15)19-9-8-17(32)12-21(19)35-30(31)41/h2-4,7-12,15,23,25-26H,5-6,13-14H2,1H3,(H,35,41)(H,39,40)/t23-,25+,26-,31+/m0/s1
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n/an/a 31n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431952
PNG
(US10576064, Example I-39 | US10576064, Example I-4...)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@H]2[C@H](CNC2=O)N(CC2CC2)[C@@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C23H20Cl2FN3O2/c24-12-6-7-14-16(8-12)28-22(31)23(14)19(13-2-1-3-15(25)20(13)26)18-17(9-27-21(18)30)29(23)10-11-4-5-11/h1-3,6-8,11,17-19H,4-5,9-10H2,(H,27,30)(H,28,31)/t17-,18+,19-,23+/m0/s1
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n/an/a 32n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432039
PNG
(US10576064, Example I-278)
Show SMILES CON(C)C(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C33H31Cl2FN4O4/c1-38(44-2)30(41)19-8-11-21(12-9-19)39-15-14-26-27(31(39)42)28(22-4-3-5-24(35)29(22)36)33(40(26)17-18-6-7-18)23-13-10-20(34)16-25(23)37-32(33)43/h3-5,8-13,16,18,26-28H,6-7,14-15,17H2,1-2H3,(H,37,43)/t26-,27+,28-,33+/m0/s1
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n/an/a 33n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431952
PNG
(US10576064, Example I-39 | US10576064, Example I-4...)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@H]2[C@H](CNC2=O)N(CC2CC2)[C@@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C23H20Cl2FN3O2/c24-12-6-7-14-16(8-12)28-22(31)23(14)19(13-2-1-3-15(25)20(13)26)18-17(9-27-21(18)30)29(23)10-11-4-5-11/h1-3,6-8,11,17-19H,4-5,9-10H2,(H,27,30)(H,28,31)/t17-,18+,19-,23+/m0/s1
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n/an/a 33n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432000
PNG
(US10576064, Example I-214)
Show SMILES COc1cccc(CN2[C@H]3CCN(Cc4ccc(cc4)C(O)=O)C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C36H30Cl2FN3O5/c1-47-24-5-2-4-21(16-24)19-42-29-14-15-41(18-20-8-10-22(11-9-20)34(44)45)33(43)30(29)31(25-6-3-7-27(38)32(25)39)36(42)26-13-12-23(37)17-28(26)40-35(36)46/h2-13,16-17,29-31H,14-15,18-19H2,1H3,(H,40,46)(H,44,45)/t29-,30+,31-,36+/m0/s1
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n/an/a 34n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432048
PNG
(US10576064, Example I-290)
Show SMILES OC(=O)c1ccc(cc1)-c1cc(Cl)c(F)c(c1)[C@H]1[C@H]2[C@H](CCNC2=O)N(CC2CC2)[C@@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C31H26Cl2FN3O4/c32-19-7-8-21-23(13-19)36-30(41)31(21)26(25-24(9-10-35-28(25)38)37(31)14-15-1-2-15)20-11-18(12-22(33)27(20)34)16-3-5-17(6-4-16)29(39)40/h3-8,11-13,15,24-26H,1-2,9-10,14H2,(H,35,38)(H,36,41)(H,39,40)/t24-,25+,26-,31+/m0/s1
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n/an/a 36n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432020
PNG
(US10576064, Example I-242)
Show SMILES OC(=O)c1ccc(CN2C[C@H]3[C@H]([C@H](c4cccc(Cl)c4F)[C@@]4(N3CC3CC3)C(=O)Nc3cc(Cl)ccc43)C2=O)cc1
Show InChI InChI=1S/C31H26Cl2FN3O4/c32-19-10-11-21-23(12-19)35-30(41)31(21)26(20-2-1-3-22(33)27(20)34)25-24(37(31)14-17-4-5-17)15-36(28(25)38)13-16-6-8-18(9-7-16)29(39)40/h1-3,6-12,17,24-26H,4-5,13-15H2,(H,35,41)(H,39,40)/t24-,25+,26-,31+/m0/s1
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n/an/a 37n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432053
PNG
(US10576064, Example I-302)
Show SMILES CS(=O)(=O)Nc1ccc(cc1F)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C30H26Cl2F2N4O4S/c1-43(41,42)36-22-10-8-17(12-21(22)33)37-14-24-25(28(37)39)26(18-3-2-4-20(32)27(18)34)30(38(24)13-15-5-6-15)19-9-7-16(31)11-23(19)35-29(30)40/h2-4,7-12,15,24-26,36H,5-6,13-14H2,1H3,(H,35,40)/t24-,25+,26-,30+/m0/s1
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n/an/a 37n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431973
PNG
(US10576064, Example I-123)
Show SMILES COC(=O)c1ccc(cc1)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H26Cl2FN3O4/c1-41-29(39)17-7-10-19(11-8-17)36-15-24-25(28(36)38)26(20-3-2-4-22(33)27(20)34)31(37(24)14-16-5-6-16)21-12-9-18(32)13-23(21)35-30(31)40/h2-4,7-13,16,24-26H,5-6,14-15H2,1H3,(H,35,40)/t24-,25+,26-,31+/m0/s1
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n/an/a 38n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431989
PNG
(US10576064, Example I-192)
Show SMILES OC(=O)c1ccc(N2CC[C@H]3[C@H]([C@H](c4cccc(Cl)c4F)[C@@]4(N3CC3CC3)C(=O)Nc3cc(Cl)ccc43)C2=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C31H25Cl2FN4O6/c32-17-7-8-19-21(13-17)35-30(42)31(19)26(18-2-1-3-20(33)27(18)34)25-23(37(31)14-15-4-5-15)10-11-36(28(25)39)22-9-6-16(29(40)41)12-24(22)38(43)44/h1-3,6-9,12-13,15,23,25-26H,4-5,10-11,14H2,(H,35,42)(H,40,41)/t23-,25+,26-,31+/m0/s1
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n/an/a 40n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431962
PNG
(US10576064, Example I-76)
Show SMILES CS(=O)(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H28Cl2FN3O4S/c1-42(40,41)20-10-8-19(9-11-20)36-14-13-25-26(29(36)38)27(21-3-2-4-23(33)28(21)34)31(37(25)16-17-5-6-17)22-12-7-18(32)15-24(22)35-30(31)39/h2-4,7-12,15,17,25-27H,5-6,13-14,16H2,1H3,(H,35,39)/t25-,26+,27-,31+/m0/s1
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n/an/a 42n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431988
PNG
(US10576064, Example I-190)
Show SMILES CC1CC1CN1[C@H]2CCN(C(=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)c1ccc(cc1F)C(O)=O
Show InChI InChI=1S/C32H27Cl2F2N3O4/c1-15-11-17(15)14-39-25-9-10-38(24-8-5-16(30(41)42)12-22(24)35)29(40)26(25)27(19-3-2-4-21(34)28(19)36)32(39)20-7-6-18(33)13-23(20)37-31(32)43/h2-8,12-13,15,17,25-27H,9-11,14H2,1H3,(H,37,43)(H,41,42)/t15?,17?,25-,26+,27-,32+/m0/s1
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n/an/a 45n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432038
PNG
(US10576064, Example I-276)
Show SMILES CN(O)C(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C32H29Cl2FN4O4/c1-37(43)29(40)18-7-10-20(11-8-18)38-14-13-25-26(30(38)41)27(21-3-2-4-23(34)28(21)35)32(39(25)16-17-5-6-17)22-12-9-19(33)15-24(22)36-31(32)42/h2-4,7-12,15,17,25-27,43H,5-6,13-14,16H2,1H3,(H,36,42)/t25-,26+,27-,32+/m0/s1
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n/an/a 46n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431996
PNG
(US10576064, Example I-206)
Show SMILES Cc1cc(cc(C)c1C(O)=O)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C33H30Cl2FN3O4/c1-16-12-20(13-17(2)26(16)31(41)42)38-11-10-25-27(30(38)40)28(21-4-3-5-23(35)29(21)36)33(39(25)15-18-6-7-18)22-9-8-19(34)14-24(22)37-32(33)43/h3-5,8-9,12-14,18,25,27-28H,6-7,10-11,15H2,1-2H3,(H,37,43)(H,41,42)/t25-,27+,28-,33+/m0/s1
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n/an/a 46n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431994
PNG
(US10576064, Example I-202)
Show SMILES CC(C)(C)CN1[C@H]2CCN(C(=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C32H30Cl2FN3O4/c1-31(2,3)16-38-24-13-14-37(19-10-7-17(8-11-19)29(40)41)28(39)25(24)26(20-5-4-6-22(34)27(20)35)32(38)21-12-9-18(33)15-23(21)36-30(32)42/h4-12,15,24-26H,13-14,16H2,1-3H3,(H,36,42)(H,40,41)/t24-,25+,26-,32+/m0/s1
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n/an/a 48n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432032
PNG
(US10576064, Example I-264)
Show SMILES OC(=O)c1ccc(N2CC[C@H]3[C@H]([C@H](c4cccc(Cl)c4F)[C@@]4(N3CC3CC3)C(=O)Nc3cc(Cl)ccc43)C2=O)c(O)c1
Show InChI InChI=1S/C31H26Cl2FN3O5/c32-17-7-8-19-21(13-17)35-30(42)31(19)26(18-2-1-3-20(33)27(18)34)25-23(37(31)14-15-4-5-15)10-11-36(28(25)39)22-9-6-16(29(40)41)12-24(22)38/h1-3,6-9,12-13,15,23,25-26,38H,4-5,10-11,14H2,(H,35,42)(H,40,41)/t23-,25+,26-,31+/m0/s1
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n/an/a 49n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432050
PNG
(US10576064, Example I-296)
Show SMILES CC(=O)Nc1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C32H29Cl2FN4O3/c1-17(40)36-20-8-10-21(11-9-20)38-14-13-26-27(30(38)41)28(22-3-2-4-24(34)29(22)35)32(39(26)16-18-5-6-18)23-12-7-19(33)15-25(23)37-31(32)42/h2-4,7-12,15,18,26-28H,5-6,13-14,16H2,1H3,(H,36,40)(H,37,42)/t26-,27+,28-,32+/m0/s1
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n/an/a 58n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431947
PNG
(US10576064, Example I-21)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@H]2[C@H](CCNC2=O)N(CC2CC2)[C@@]11C(=O)Nc2cc(Br)ccc12
Show InChI InChI=1S/C24H22BrClFN3O2/c25-13-6-7-15-17(10-13)29-23(32)24(15)20(14-2-1-3-16(26)21(14)27)19-18(8-9-28-22(19)31)30(24)11-12-4-5-12/h1-3,6-7,10,12,18-20H,4-5,8-9,11H2,(H,28,31)(H,29,32)/t18-,19+,20-,24+/m0/s1
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n/an/a 64n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432041
PNG
(US10576064, Example I-281)
Show SMILES NC(=O)c1ccc(cc1C(F)(F)F)N1C[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H24Cl2F4N4O3/c32-15-6-9-19-22(10-15)39-29(44)30(19)25(18-2-1-3-21(33)26(18)34)24-23(41(30)12-14-4-5-14)13-40(28(24)43)16-7-8-17(27(38)42)20(11-16)31(35,36)37/h1-3,6-11,14,23-25H,4-5,12-13H2,(H2,38,42)(H,39,44)/t23-,24+,25-,30+/m0/s1
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n/an/a 67n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432055
PNG
(US10576064, Example I-306)
Show SMILES OC(=O)CNc1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C32H29Cl2FN4O4/c33-18-6-11-22-24(14-18)37-31(43)32(22)28(21-2-1-3-23(34)29(21)35)27-25(39(32)16-17-4-5-17)12-13-38(30(27)42)20-9-7-19(8-10-20)36-15-26(40)41/h1-3,6-11,14,17,25,27-28,36H,4-5,12-13,15-16H2,(H,37,43)(H,40,41)/t25-,27+,28-,32+/m0/s1
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n/an/a 67n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431959
PNG
(US10576064, Example I-71)
Show SMILES CCOc1cccc(CN2[C@H]3CCN(C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2)C(=O)OC)c1
Show InChI InChI=1S/C37H32Cl2FN3O5/c1-3-48-25-7-4-6-21(18-25)20-43-30-16-17-42(24-13-10-22(11-14-24)35(45)47-2)34(44)31(30)32(26-8-5-9-28(39)33(26)40)37(43)27-15-12-23(38)19-29(27)41-36(37)46/h4-15,18-19,30-32H,3,16-17,20H2,1-2H3,(H,41,46)/t30-,31+,32-,37+/m0/s1
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n/an/a 68n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431982
PNG
(US10576064, Example I-179)
Show SMILES COc1cc(ccc1N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O)C(O)=O
Show InChI InChI=1S/C32H28Cl2FN3O5/c1-43-25-13-17(30(40)41)7-10-23(25)37-12-11-24-26(29(37)39)27(19-3-2-4-21(34)28(19)35)32(38(24)15-16-5-6-16)20-9-8-18(33)14-22(20)36-31(32)42/h2-4,7-10,13-14,16,24,26-27H,5-6,11-12,15H2,1H3,(H,36,42)(H,40,41)/t24-,26+,27-,32+/m0/s1
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n/an/a 71n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431935
PNG
(US10576064, Example I-1 | US10576064, Example I-2)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@H]2[C@H](CCNC2=O)N(CC2CC2)[C@@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C24H22Cl2FN3O2/c25-13-6-7-15-17(10-13)29-23(32)24(15)20(14-2-1-3-16(26)21(14)27)19-18(8-9-28-22(19)31)30(24)11-12-4-5-12/h1-3,6-7,10,12,18-20H,4-5,8-9,11H2,(H,28,31)(H,29,32)/t18-,19+,20-,24+/m0/s1
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n/an/a 86n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432051
PNG
(US10576064, Example I-298)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@H]2[C@H](CCN(C2=O)c2ccc(NC=O)cc2)N(CC2CC2)[C@@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C31H27Cl2FN4O3/c32-18-6-11-22-24(14-18)36-30(41)31(22)27(21-2-1-3-23(33)28(21)34)26-25(38(31)15-17-4-5-17)12-13-37(29(26)40)20-9-7-19(8-10-20)35-16-39/h1-3,6-11,14,16-17,25-27H,4-5,12-13,15H2,(H,35,39)(H,36,41)/t25-,26+,27-,31+/m0/s1
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n/an/a 86n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431983
PNG
(US10576064, Example I-181)
Show SMILES COc1cc(ccc1N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O)C(O)=O
Show InChI InChI=1S/C32H29Cl2N3O5/c1-42-26-14-19(30(39)40)7-10-24(26)36-12-11-25-27(29(36)38)28(18-3-2-4-20(33)13-18)32(37(25)16-17-5-6-17)22-9-8-21(34)15-23(22)35-31(32)41/h2-4,7-10,13-15,17,25,27-28H,5-6,11-12,16H2,1H3,(H,35,41)(H,39,40)/t25-,27+,28-,32+/m0/s1
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n/an/a 92n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431964
PNG
(US10576064, Example I-80)
Show SMILES CNS(=O)(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H29Cl2FN4O4S/c1-35-43(41,42)20-10-8-19(9-11-20)37-14-13-25-26(29(37)39)27(21-3-2-4-23(33)28(21)34)31(38(25)16-17-5-6-17)22-12-7-18(32)15-24(22)36-30(31)40/h2-4,7-12,15,17,25-27,35H,5-6,13-14,16H2,1H3,(H,36,40)/t25-,26+,27-,31+/m0/s1
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n/an/a 93n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432052
PNG
(US10576064, Example I-300)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H29Cl2FN4O4S/c1-43(41,42)36-19-8-10-20(11-9-19)37-14-13-25-26(29(37)39)27(21-3-2-4-23(33)28(21)34)31(38(25)16-17-5-6-17)22-12-7-18(32)15-24(22)35-30(31)40/h2-4,7-12,15,17,25-27,36H,5-6,13-14,16H2,1H3,(H,35,40)/t25-,26+,27-,31+/m0/s1
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n/an/a 98n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431956
PNG
(US10576064, Example I-63)
Show SMILES COC(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C32H28Cl2FN3O4/c1-42-30(40)18-7-10-20(11-8-18)37-14-13-25-26(29(37)39)27(21-3-2-4-23(34)28(21)35)32(38(25)16-17-5-6-17)22-12-9-19(33)15-24(22)36-31(32)41/h2-4,7-12,15,17,25-27H,5-6,13-14,16H2,1H3,(H,36,41)/t25-,26+,27-,32+/m0/s1
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n/an/a 103n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431935
PNG
(US10576064, Example I-1 | US10576064, Example I-2)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@H]2[C@H](CCNC2=O)N(CC2CC2)[C@@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C24H22Cl2FN3O2/c25-13-6-7-15-17(10-13)29-23(32)24(15)20(14-2-1-3-16(26)21(14)27)19-18(8-9-28-22(19)31)30(24)11-12-4-5-12/h1-3,6-7,10,12,18-20H,4-5,8-9,11H2,(H,28,31)(H,29,32)/t18-,19+,20-,24+/m0/s1
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n/an/a 112n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431990
PNG
(US10576064, Example I-194)
Show SMILES COc1cc(ccc1N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2C)C(=O)Nc2cc(Cl)ccc32)C1=O)C(O)=O
Show InChI InChI=1S/C33H30Cl2FN3O5/c1-16-12-18(16)15-39-25-10-11-38(24-9-6-17(31(41)42)13-26(24)44-2)30(40)27(25)28(20-4-3-5-22(35)29(20)36)33(39)21-8-7-19(34)14-23(21)37-32(33)43/h3-9,13-14,16,18,25,27-28H,10-12,15H2,1-2H3,(H,37,43)(H,41,42)/t16?,18?,25-,27+,28-,33+/m0/s1
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n/an/a 114n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431963
PNG
(US10576064, Example I-78)
Show SMILES CC1CC1CN1[C@H]2CCN(C(=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H30Cl2FN3O4S/c1-17-14-18(17)16-38-26-12-13-37(20-7-9-21(10-8-20)43(2,41)42)30(39)27(26)28(22-4-3-5-24(34)29(22)35)32(38)23-11-6-19(33)15-25(23)36-31(32)40/h3-11,15,17-18,26-28H,12-14,16H2,1-2H3,(H,36,40)/t17?,18?,26-,27+,28-,32+/m0/s1
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n/an/a 120n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431970
PNG
(US10576064, Example I-90)
Show SMILES COCc1cc(ccn1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H29Cl2FN4O3/c1-41-16-19-14-20(9-11-35-19)37-12-10-25-26(29(37)39)27(21-3-2-4-23(33)28(21)34)31(38(25)15-17-5-6-17)22-8-7-18(32)13-24(22)36-30(31)40/h2-4,7-9,11,13-14,17,25-27H,5-6,10,12,15-16H2,1H3,(H,36,40)/t25-,26+,27-,31+/m0/s1
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n/an/a 124n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431993
PNG
(US10576064, Example I-200)
Show SMILES COc1cc(ccc1N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CCC2)C(=O)Nc2cc(Cl)ccc32)C1=O)C(O)=O
Show InChI InChI=1S/C33H30Cl2FN3O5/c1-44-26-14-18(31(41)42)8-11-24(26)38-13-12-25-27(30(38)40)28(20-6-3-7-22(35)29(20)36)33(39(25)16-17-4-2-5-17)21-10-9-19(34)15-23(21)37-32(33)43/h3,6-11,14-15,17,25,27-28H,2,4-5,12-13,16H2,1H3,(H,37,43)(H,41,42)/t25-,27+,28-,33+/m0/s1
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n/an/a 134n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431944
PNG
(US10576064, Example I-15)
Show SMILES CC(C)(C)CN1[C@H]2CCNC(=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C25H26Cl2FN3O2/c1-24(2,3)12-31-18-9-10-29-22(32)19(18)20(14-5-4-6-16(27)21(14)28)25(31)15-8-7-13(26)11-17(15)30-23(25)33/h4-8,11,18-20H,9-10,12H2,1-3H3,(H,29,32)(H,30,33)/t18-,19+,20-,25+/m0/s1
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n/an/a 152n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431998
PNG
(US10576064, Example I-210)
Show SMILES CC(C)(C)CN1[C@H]2CCN(Cc3ccc(cc3)C(O)=O)C(=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C33H32Cl2FN3O4/c1-32(2,3)17-39-25-13-14-38(16-18-7-9-19(10-8-18)30(41)42)29(40)26(25)27(21-5-4-6-23(35)28(21)36)33(39)22-12-11-20(34)15-24(22)37-31(33)43/h4-12,15,25-27H,13-14,16-17H2,1-3H3,(H,37,43)(H,41,42)/t25-,26+,27-,33+/m0/s1
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n/an/a 158n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431968
PNG
(US10576064, Example I-86)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@H]2[C@H](CCN(C2=O)c2ccc(cc2)C#N)N(CC2CC2)[C@@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C31H25Cl2FN4O2/c32-19-8-11-22-24(14-19)36-30(40)31(22)27(21-2-1-3-23(33)28(21)34)26-25(38(31)16-18-4-5-18)12-13-37(29(26)39)20-9-6-17(15-35)7-10-20/h1-3,6-11,14,18,25-27H,4-5,12-13,16H2,(H,36,40)/t25-,26+,27-,31+/m0/s1
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n/an/a 159n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432049
PNG
(US10576064, Example I-292)
Show SMILES Nc1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C30H27Cl2FN4O2/c31-17-6-11-21-23(14-17)35-29(39)30(21)26(20-2-1-3-22(32)27(20)33)25-24(37(30)15-16-4-5-16)12-13-36(28(25)38)19-9-7-18(34)8-10-19/h1-3,6-11,14,16,24-26H,4-5,12-13,15,34H2,(H,35,39)/t24-,25+,26-,30+/m0/s1
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n/an/a 164n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432054
PNG
(US10576064, Example I-304)
Show SMILES CCOC(=O)CNc1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C34H33Cl2FN4O4/c1-2-45-28(42)17-38-21-9-11-22(12-10-21)40-15-14-27-29(32(40)43)30(23-4-3-5-25(36)31(23)37)34(41(27)18-19-6-7-19)24-13-8-20(35)16-26(24)39-33(34)44/h3-5,8-13,16,19,27,29-30,38H,2,6-7,14-15,17-18H2,1H3,(H,39,44)/t27-,29+,30-,34+/m0/s1
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n/an/a 192n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431971
PNG
(US10576064, Example I-92)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@H]2[C@H](CCN(C2=O)c2ccncc2)N(CC2CC2)[C@@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C29H25Cl2FN4O2/c30-17-6-7-20-22(14-17)34-28(38)29(20)25(19-2-1-3-21(31)26(19)32)24-23(36(29)15-16-4-5-16)10-13-35(27(24)37)18-8-11-33-12-9-18/h1-3,6-9,11-12,14,16,23-25H,4-5,10,13,15H2,(H,34,38)/t23-,24+,25-,29+/m0/s1
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n/an/a 193n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431997
PNG
(US10576064, Example I-208)
Show SMILES OC(=O)c1ccc(CN2CC[C@H]3[C@H]([C@H](c4cccc(Cl)c4F)[C@@]4(N3CC3CC3)C(=O)Nc3cc(Cl)ccc43)C2=O)cc1
Show InChI InChI=1S/C32H28Cl2FN3O4/c33-20-10-11-22-24(14-20)36-31(42)32(22)27(21-2-1-3-23(34)28(21)35)26-25(38(32)16-18-4-5-18)12-13-37(29(26)39)15-17-6-8-19(9-7-17)30(40)41/h1-3,6-11,14,18,25-27H,4-5,12-13,15-16H2,(H,36,42)(H,40,41)/t25-,26+,27-,32+/m0/s1
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n/an/a 210n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431946
PNG
(US10576064, Example I-19)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@H]2[C@H](CCNC2=O)N(CC2CCC2)[C@@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C25H24Cl2FN3O2/c26-14-7-8-16-18(11-14)30-24(33)25(16)21(15-5-2-6-17(27)22(15)28)20-19(9-10-29-23(20)32)31(25)12-13-3-1-4-13/h2,5-8,11,13,19-21H,1,3-4,9-10,12H2,(H,29,32)(H,30,33)/t19-,20+,21-,25+/m0/s1
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n/an/a 240n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431937
PNG
(US10576064, Example I-3)
Show SMILES Clc1ccc2c(NC(=O)[C@]22[C@H]([C@H]3[C@H](CCNC3=O)N2CC2CC2)c2cccc(Cl)c2)c1
Show InChI InChI=1S/C24H23Cl2N3O2/c25-15-3-1-2-14(10-15)21-20-19(8-9-27-22(20)30)29(12-13-4-5-13)24(21)17-7-6-16(26)11-18(17)28-23(24)31/h1-3,6-7,10-11,13,19-21H,4-5,8-9,12H2,(H,27,30)(H,28,31)/t19-,20+,21-,24+/m0/s1
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n/an/a 263n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432006
PNG
(US10576064, Example I-223)
Show SMILES OC(=O)c1ccc(cc1)N1C[C@@H]2[C@@H]([C@@H](c3cccc(Cl)c3F)[C@]3(N2CC2CCC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H26Cl2FN3O4/c32-18-9-12-21-23(13-18)35-30(41)31(21)26(20-5-2-6-22(33)27(20)34)25-24(37(31)14-16-3-1-4-16)15-36(28(25)38)19-10-7-17(8-11-19)29(39)40/h2,5-13,16,24-26H,1,3-4,14-15H2,(H,35,41)(H,39,40)/t24-,25+,26-,31+/m1/s1
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n/an/a 271n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431943
PNG
(US10576064, Example I-13)
Show SMILES CC1CC1CN1[C@H]2CCNC(=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C25H24Cl2FN3O2/c1-12-9-13(12)11-31-19-7-8-29-23(32)20(19)21(15-3-2-4-17(27)22(15)28)25(31)16-6-5-14(26)10-18(16)30-24(25)33/h2-6,10,12-13,19-21H,7-9,11H2,1H3,(H,29,32)(H,30,33)/t12?,13?,19-,20+,21-,25+/m0/s1
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n/an/a 272n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431948
PNG
(US10576064, Example I-23)
Show SMILES Cc1ccc2c(NC(=O)[C@]22[C@H]([C@H]3[C@H](CCNC3=O)N2CC2CC2)c2cccc(Cl)c2F)c1
Show InChI InChI=1S/C25H25ClFN3O2/c1-13-5-8-16-18(11-13)29-24(32)25(16)21(15-3-2-4-17(26)22(15)27)20-19(9-10-28-23(20)31)30(25)12-14-6-7-14/h2-5,8,11,14,19-21H,6-7,9-10,12H2,1H3,(H,28,31)(H,29,32)/t19-,20+,21-,25+/m0/s1
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n/an/a 290n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431951
PNG
(US10576064, Example I-37)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@H]2[C@H](CCOC2=O)N(CC2CC2)[C@@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C24H21Cl2FN2O3/c25-13-6-7-15-17(10-13)28-23(31)24(15)20(14-2-1-3-16(26)21(14)27)19-18(8-9-32-22(19)30)29(24)11-12-4-5-12/h1-3,6-7,10,12,18-20H,4-5,8-9,11H2,(H,28,31)/t18-,19+,20-,24+/m0/s1
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n/an/a 292n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431978
PNG
(US10576064, Example I-172)
Show SMILES OC(=O)c1ccc(cc1)N1CC[C@@H]2[C@@H]([C@@H](c3cccc(Cl)c3F)[C@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H26Cl2FN3O4/c32-18-8-11-21-23(14-18)35-30(41)31(21)26(20-2-1-3-22(33)27(20)34)25-24(37(31)15-16-4-5-16)12-13-36(28(25)38)19-9-6-17(7-10-19)29(39)40/h1-3,6-11,14,16,24-26H,4-5,12-13,15H2,(H,35,41)(H,39,40)/t24-,25+,26-,31+/m1/s1
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n/an/a 302n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431949
PNG
(US10576064, Example I-25)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@H]2[C@H](CCNC2=O)N(CC2CC2)[C@@]11C(=O)Nc2cc(I)ccc12
Show InChI InChI=1S/C24H22ClFIN3O2/c25-16-3-1-2-14(21(16)26)20-19-18(8-9-28-22(19)31)30(11-12-4-5-12)24(20)15-7-6-13(27)10-17(15)29-23(24)32/h1-3,6-7,10,12,18-20H,4-5,8-9,11H2,(H,28,31)(H,29,32)/t18-,19+,20-,24+/m0/s1
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n/an/a 324n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431945
PNG
(US10576064, Example I-17)
Show SMILES Fc1cc2c(NC(=O)[C@]22[C@H]([C@H]3[C@H](CCNC3=O)N2CC2CC2)c2cccc(Cl)c2F)cc1Cl
Show InChI InChI=1S/C24H21Cl2F2N3O2/c25-14-3-1-2-12(21(14)28)20-19-18(6-7-29-22(19)32)31(10-11-4-5-11)24(20)13-8-16(27)15(26)9-17(13)30-23(24)33/h1-3,8-9,11,18-20H,4-7,10H2,(H,29,32)(H,30,33)/t18-,19+,20-,24+/m0/s1
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n/an/a 324n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431961
PNG
(US10576064, Example I-74)
Show SMILES CC(C)(C)CN1[C@H]2CCN(C(=O)[C@H]2[C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H32Cl2FN3O4S/c1-31(2,3)17-38-25-14-15-37(19-9-11-20(12-10-19)43(4,41)42)29(39)26(25)27(21-6-5-7-23(34)28(21)35)32(38)22-13-8-18(33)16-24(22)36-30(32)40/h5-13,16,25-27H,14-15,17H2,1-4H3,(H,36,40)/t25-,26+,27-,32+/m0/s1
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n/an/a 342n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431974
PNG
(US10576064, Example I-125)
Show SMILES COC(=O)c1ccc(N2C[C@H]3[C@H]([C@H](c4cccc(Cl)c4F)[C@@]4(N3CC3CC3)C(=O)Nc3cc(Cl)ccc43)C2=O)c(OC)c1
Show InChI InChI=1S/C32H28Cl2FN3O5/c1-42-25-12-17(30(40)43-2)8-11-23(25)37-15-24-26(29(37)39)27(19-4-3-5-21(34)28(19)35)32(38(24)14-16-6-7-16)20-10-9-18(33)13-22(20)36-31(32)41/h3-5,8-13,16,24,26-27H,6-7,14-15H2,1-2H3,(H,36,41)/t24-,26+,27-,32+/m0/s1
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n/an/a 347n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431958
PNG
(US10576064, Example I-69)
Show SMILES COC(=O)c1ccc(cc1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2C)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C33H30Cl2FN3O4/c1-17-14-19(17)16-39-26-12-13-38(21-9-6-18(7-10-21)31(41)43-2)30(40)27(26)28(22-4-3-5-24(35)29(22)36)33(39)23-11-8-20(34)15-25(23)37-32(33)42/h3-11,15,17,19,26-28H,12-14,16H2,1-2H3,(H,37,42)/t17?,19?,26-,27+,28-,33+/m0/s1
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n/an/a 447n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432003
PNG
(US10576064, Example I-218)
Show SMILES OC(=O)c1ccc(cc1)N1C[C@@H]2[C@@H]([C@@H](c3cccc(Cl)c3F)[C@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C30H24Cl2FN3O4/c31-17-8-11-20-22(12-17)34-29(40)30(20)25(19-2-1-3-21(32)26(19)33)24-23(36(30)13-15-4-5-15)14-35(27(24)37)18-9-6-16(7-10-18)28(38)39/h1-3,6-12,15,23-25H,4-5,13-14H2,(H,34,40)(H,38,39)/t23-,24+,25-,30+/m1/s1
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n/an/a 460n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431942
PNG
(US10576064, Example I-11)
Show SMILES Fc1c(Cl)cc(Br)cc1[C@H]1[C@H]2[C@H](CCNC2=O)N(CC2CC2)[C@@]11C(=O)Nc2cc(Cl)ccc12
Show InChI InChI=1S/C24H21BrCl2FN3O2/c25-12-7-14(21(28)16(27)8-12)20-19-18(5-6-29-22(19)32)31(10-11-1-2-11)24(20)15-4-3-13(26)9-17(15)30-23(24)33/h3-4,7-9,11,18-20H,1-2,5-6,10H2,(H,29,32)(H,30,33)/t18-,19+,20-,24+/m0/s1
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n/an/a 462n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432023
PNG
(US10576064, Example I-248)
Show SMILES CCOc1cccc(CN2[C@H]3CN(Cc4ccc(cc4)C(O)=O)C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@@]22C(=O)Nc3cc(Cl)ccc23)c1
Show InChI InChI=1S/C36H30Cl2FN3O5/c1-2-47-24-6-3-5-21(15-24)18-42-29-19-41(17-20-9-11-22(12-10-20)34(44)45)33(43)30(29)31(25-7-4-8-27(38)32(25)39)36(42)26-14-13-23(37)16-28(26)40-35(36)46/h3-16,29-31H,2,17-19H2,1H3,(H,40,46)(H,44,45)/t29-,30+,31-,36-/m0/s1
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n/an/a 485n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432015
PNG
(US10576064, Example I-236)
Show SMILES OC(=O)c1ccc(cc1)N1C[C@@H]2[C@@H]([C@@H](c3cccc(Cl)c3F)[C@]3(N2CC2CCCC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C32H28Cl2FN3O4/c33-19-10-13-22-24(14-19)36-31(42)32(22)27(21-6-3-7-23(34)28(21)35)26-25(38(32)15-17-4-1-2-5-17)16-37(29(26)39)20-11-8-18(9-12-20)30(40)41/h3,6-14,17,25-27H,1-2,4-5,15-16H2,(H,36,42)(H,40,41)/t25-,26+,27-,32+/m1/s1
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n/an/a 488n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432014
PNG
(US10576064, Example I-235)
Show SMILES OC(=O)c1ccc(cc1)N1C[C@@H]2[C@@H]([C@@H](c3cccc(Cl)c3F)[C@]3(N2CC2CCCCC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C33H30Cl2FN3O4/c34-20-11-14-23-25(15-20)37-32(43)33(23)28(22-7-4-8-24(35)29(22)36)27-26(39(33)16-18-5-2-1-3-6-18)17-38(30(27)40)21-12-9-19(10-13-21)31(41)42/h4,7-15,18,26-28H,1-3,5-6,16-17H2,(H,37,43)(H,41,42)/t26-,27+,28-,33+/m1/s1
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n/an/a 980n/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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431966
PNG
(US10576064, Example I-82)
Show SMILES COC(=O)c1ccc(N2CC[C@H]3[C@H]([C@H](c4cccc(Cl)c4F)[C@@]4(N3CC3CC3C)C(=O)Nc3cc(Cl)ccc43)C2=O)c(OC)c1
Show InChI InChI=1S/C34H32Cl2FN3O5/c1-17-13-19(17)16-40-26-11-12-39(25-10-7-18(32(42)45-3)14-27(25)44-2)31(41)28(26)29(21-5-4-6-23(36)30(21)37)34(40)22-9-8-20(35)15-24(22)38-33(34)43/h4-10,14-15,17,19,26,28-29H,11-13,16H2,1-3H3,(H,38,43)/t17?,19?,26-,28+,29-,34+/m0/s1
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n/an/a 1.02E+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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM432018
PNG
(US10576064, Example I-239)
Show SMILES CCOc1cccc(CN2[C@@H]3CN(C(=O)[C@@H]3[C@@H](c3cccc(Cl)c3F)[C@@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2)C(O)=O)c1
Show InChI InChI=1S/C35H28Cl2FN3O5/c1-2-46-23-6-3-5-19(15-23)17-41-28-18-40(22-12-9-20(10-13-22)33(43)44)32(42)29(28)30(24-7-4-8-26(37)31(24)38)35(41)25-14-11-21(36)16-27(25)39-34(35)45/h3-16,28-30H,2,17-18H2,1H3,(H,39,45)(H,43,44)/t28-,29+,30-,35+/m1/s1
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n/an/a 1.16E+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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431967
PNG
(US10576064, Example I-84)
Show SMILES COC(=O)c1ccc(N2CC[C@H]3[C@H]([C@H](c4cccc(Cl)c4F)[C@@]4(N3CC3CC3C)C(=O)Nc3cc(Cl)ccc43)C2=O)c(F)c1
Show InChI InChI=1S/C33H29Cl2F2N3O4/c1-16-12-18(16)15-40-26-10-11-39(25-9-6-17(13-23(25)36)31(42)44-2)30(41)27(26)28(20-4-3-5-22(35)29(20)37)33(40)21-8-7-19(34)14-24(21)38-32(33)43/h3-9,13-14,16,18,26-28H,10-12,15H2,1-2H3,(H,38,43)/t16?,18?,26-,27+,28-,33+/m0/s1
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n/an/a 1.18E+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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431980
PNG
(US10576064, Example I-175)
Show SMILES OC(=O)c1cccc(c1)N1CC[C@H]2[C@H]([C@H](c3cccc(Cl)c3F)[C@@]3(N2CC2CC2)C(=O)Nc2cc(Cl)ccc32)C1=O
Show InChI InChI=1S/C31H26Cl2FN3O4/c32-18-9-10-21-23(14-18)35-30(41)31(21)26(20-5-2-6-22(33)27(20)34)25-24(37(31)15-16-7-8-16)11-12-36(28(25)38)19-4-1-3-17(13-19)29(39)40/h1-6,9-10,13-14,16,24-26H,7-8,11-12,15H2,(H,35,41)(H,39,40)/t24-,25+,26-,31+/m0/s1
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n/an/a 2.13E+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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
MDM2-MDMX (aa 23-127)


(Homo sapiens (Human))
BDBM431972
PNG
(US10576064, Example I-112)
Show SMILES CCOc1cccc(CN2[C@@H]3CCN(C(=O)[C@@H]3[C@@H](c3cccc(Cl)c3F)[C@@]22C(=O)Nc3cc(Cl)ccc23)c2ccc(cc2)C(=O)OC)c1
Show InChI InChI=1S/C37H32Cl2FN3O5/c1-3-48-25-7-4-6-21(18-25)20-43-30-16-17-42(24-13-10-22(11-14-24)35(45)47-2)34(44)31(30)32(26-8-5-9-28(39)33(26)40)37(43)27-15-12-23(38)19-29(27)41-36(37)46/h4-15,18-19,30-32H,3,16-17,20H2,1-2H3,(H,41,46)/t30-,31+,32-,37+/m1/s1
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n/an/a 3.29E+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 US10576064 (2020)


BindingDB Entry DOI: 10.7270/Q2NC63KF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%