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Compile Data Set for Download or QSAR

Found 474 hits with Last Name = 'houze' and Initial = 'jb'   
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
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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10n/an/an/an/an/an/an/an/a



Amgen, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay


Bioorg Med Chem 21: 979-92 (2013)


Article DOI: 10.1016/j.bmc.2012.11.058
BindingDB Entry DOI: 10.7270/Q23F4R13
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448936
PNG
(CHEMBL3125527 | US9296736, 342 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H35Cl2NO5S/c1-6-22(17-37(35,36)27(2,3)4)31-25(18-10-12-20(29)13-11-18)23(19-8-7-9-21(30)14-19)15-28(5,26(31)34)16-24(32)33/h7-14,22-23,25H,6,15-17H2,1-5H3,(H,32,33)/t22-,23+,25+,28+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448963
PNG
(CHEMBL3125537 | US9296736, 351 | US9593129, Exampl...)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H35Cl2NO5S/c1-28(2,3)38(36,37)17-24(18-8-9-18)32-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(32)35)16-25(33)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,33,34)/t23-,24-,26-,29-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448963
PNG
(CHEMBL3125537 | US9296736, 351 | US9593129, Exampl...)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H35Cl2NO5S/c1-28(2,3)38(36,37)17-24(18-8-9-18)32-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(32)35)16-25(33)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H,33,34)/t23-,24-,26-,29-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448945
PNG
(CHEMBL3125521 | US9296736, 381 | US9593129, Exampl...)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)N2CCCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C29H34Cl2N2O5S/c1-29(17-26(34)35)16-24(21-5-4-6-23(31)15-21)27(20-9-11-22(30)12-10-20)33(28(29)36)25(19-7-8-19)18-39(37,38)32-13-2-3-14-32/h4-6,9-12,15,19,24-25,27H,2-3,7-8,13-14,16-18H2,1H3,(H,34,35)/t24-,25-,27-,29-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448962
PNG
(CHEMBL3125538)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CCC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H37Cl2NO5S/c1-29(2,3)39(37,38)18-25(19-7-5-8-19)33-27(20-11-13-22(31)14-12-20)24(21-9-6-10-23(32)15-21)16-30(4,28(33)36)17-26(34)35/h6,9-15,19,24-25,27H,5,7-8,16-18H2,1-4H3,(H,34,35)/t24-,25-,27-,30-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448958
PNG
(CHEMBL3125698)
Show SMILES CC(C)S(=O)(=O)C[C@H](C1CCC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H35Cl2NO5S/c1-18(2)38(36,37)17-25(19-6-4-7-19)32-27(20-10-12-22(30)13-11-20)24(21-8-5-9-23(31)14-21)15-29(3,28(32)35)16-26(33)34/h5,8-14,18-19,24-25,27H,4,6-7,15-17H2,1-3H3,(H,33,34)/t24-,25-,27-,29-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448966
PNG
(CHEMBL3125534)
Show SMILES C[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H33Cl2NO5S/c1-17(16-36(34,35)26(2,3)4)30-24(18-9-11-20(28)12-10-18)22(19-7-6-8-21(29)13-19)14-27(5,25(30)33)15-23(31)32/h6-13,17,22,24H,14-16H2,1-5H3,(H,31,32)/t17-,22+,24+,27+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448967
PNG
(CHEMBL3125533)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](CC(F)(F)F)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H32Cl2F3NO5S/c1-26(2,3)40(38,39)16-21(13-28(31,32)33)34-24(17-8-10-19(29)11-9-17)22(18-6-5-7-20(30)12-18)14-27(4,25(34)37)15-23(35)36/h5-12,21-22,24H,13-16H2,1-4H3,(H,35,36)/t21-,22+,24+,27+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448955
PNG
(CHEMBL3125701 | US9296736, 354 | US9593129, Exampl...)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(C)(=O)=O)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C26H29Cl2NO5S/c1-26(14-23(30)31)13-21(18-4-3-5-20(28)12-18)24(17-8-10-19(27)11-9-17)29(25(26)32)22(16-6-7-16)15-35(2,33)34/h3-5,8-12,16,21-22,24H,6-7,13-15H2,1-2H3,(H,30,31)/t21-,22-,24-,26-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448942
PNG
(CHEMBL3125520 | US9296736, 382 | US9593129, Exampl...)
Show SMILES C[C@]1(CC(O)=O)C[C@@H]([C@H](N([C@H](CS(=O)(=O)N2CCC2)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C28H32Cl2N2O5S/c1-28(16-25(33)34)15-23(20-4-2-5-22(30)14-20)26(19-8-10-21(29)11-9-19)32(27(28)35)24(18-6-7-18)17-38(36,37)31-12-3-13-31/h2,4-5,8-11,14,18,23-24,26H,3,6-7,12-13,15-17H2,1H3,(H,33,34)/t23-,24-,26-,28-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448961
PNG
(CHEMBL3125539)
Show SMILES CC(C)S(=O)(=O)C[C@H](C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2NO5S/c1-16(2)35(33,34)15-17(3)29-24(18-8-10-20(27)11-9-18)22(19-6-5-7-21(28)12-19)13-26(4,25(29)32)14-23(30)31/h5-12,16-17,22,24H,13-15H2,1-4H3,(H,30,31)/t17-,22+,24+,26+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448959
PNG
(CHEMBL3125697 | US9296736, 350 | US9593129, Exampl...)
Show SMILES CC(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H33Cl2NO5S/c1-17(2)37(35,36)16-24(18-7-8-18)31-26(19-9-11-21(29)12-10-19)23(20-5-4-6-22(30)13-20)14-28(3,27(31)34)15-25(32)33/h4-6,9-13,17-18,23-24,26H,7-8,14-16H2,1-3H3,(H,32,33)/t23-,24-,26-,28-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448970
PNG
(CHEMBL3125518 | US9296736, 295 | US9593129, Exampl...)
Show SMILES CC(C)[C@@H](CN(C)S(=O)(=O)C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H36Cl2N2O5S/c1-18(2)25(17-32(4)39(37,38)23-12-13-23)33-27(19-8-10-21(30)11-9-19)24(20-6-5-7-22(31)14-20)15-29(3,28(33)36)16-26(34)35/h5-11,14,18,23-25,27H,12-13,15-17H2,1-4H3,(H,34,35)/t24-,25-,27-,29-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448948
PNG
(CHEMBL3125519 | US9296736, 377 | US9593129, Exampl...)
Show SMILES CN(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H32Cl2N2O5S/c1-27(15-24(32)33)14-22(19-5-4-6-21(29)13-19)25(18-9-11-20(28)12-10-18)31(26(27)34)23(17-7-8-17)16-37(35,36)30(2)3/h4-6,9-13,17,22-23,25H,7-8,14-16H2,1-3H3,(H,32,33)/t22-,23-,25-,27-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448969
PNG
(CHEMBL3125517 | US9296736, 256 | US9593129, Exampl...)
Show SMILES CN(C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C29H34Cl2N2O5S/c1-29(16-26(34)35)15-24(20-4-3-5-22(31)14-20)27(19-8-10-21(30)11-9-19)33(28(29)36)25(18-6-7-18)17-32(2)39(37,38)23-12-13-23/h3-5,8-11,14,18,23-25,27H,6-7,12-13,15-17H2,1-2H3,(H,34,35)/t24-,25-,27-,29-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448938
PNG
(CHEMBL3125525 | US9296736, 340 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H31Cl2NO5S/c1-3-21(16-36(34,35)22-11-12-22)30-25(17-7-9-19(28)10-8-17)23(18-5-4-6-20(29)13-18)14-27(2,26(30)33)15-24(31)32/h4-10,13,21-23,25H,3,11-12,14-16H2,1-2H3,(H,31,32)/t21-,23+,25+,27+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448937
PNG
(CHEMBL3125526 | US9296736, 341 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H33Cl2NO5S/c1-5-22(16-36(34,35)17(2)3)30-25(18-9-11-20(28)12-10-18)23(19-7-6-8-21(29)13-19)14-27(4,26(30)33)15-24(31)32/h6-13,17,22-23,25H,5,14-16H2,1-4H3,(H,31,32)/t22-,23+,25+,27+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448935
PNG
(CHEMBL3125528 | US9296736, 304 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)CC1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H33Cl2NO5S/c1-3-23(17-37(35,36)16-18-7-8-18)31-26(19-9-11-21(29)12-10-19)24(20-5-4-6-22(30)13-20)14-28(2,27(31)34)15-25(32)33/h4-6,9-13,18,23-24,26H,3,7-8,14-17H2,1-2H3,(H,32,33)/t23-,24+,26+,28+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448934
PNG
(CHEMBL3125529 | US9296736, 343 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C1CCC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H33Cl2NO5S/c1-3-22(17-37(35,36)23-8-5-9-23)31-26(18-10-12-20(29)13-11-18)24(19-6-4-7-21(30)14-19)15-28(2,27(31)34)16-25(32)33/h4,6-7,10-14,22-24,26H,3,5,8-9,15-17H2,1-2H3,(H,32,33)/t22-,24+,26+,28+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448932
PNG
(CHEMBL3125531 | US9296736, 307 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C1COC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H31Cl2NO6S/c1-3-21(16-37(34,35)22-14-36-15-22)30-25(17-7-9-19(28)10-8-17)23(18-5-4-6-20(29)11-18)12-27(2,26(30)33)13-24(31)32/h4-11,21-23,25H,3,12-16H2,1-2H3,(H,31,32)/t21-,23+,25+,27+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448941
PNG
(CHEMBL3125522 | US9296736, 301 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(C)(=O)=O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H29Cl2NO5S/c1-4-20(15-34(3,32)33)28-23(16-8-10-18(26)11-9-16)21(17-6-5-7-19(27)12-17)13-25(2,24(28)31)14-22(29)30/h5-12,20-21,23H,4,13-15H2,1-3H3,(H,29,30)/t20-,21+,23+,25+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007645
PNG
(CHEMBL3233126)
Show SMILES CC[C@@H](CN(c1ccccc1F)S(=O)(=O)C(C)C)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H33Cl2FN2O6S/c1-4-24(18-35(43(40,41)19(2)3)26-11-6-5-10-25(26)34)36-29(20-12-14-22(32)15-13-20)30(21-8-7-9-23(33)16-21)42-27(31(36)39)17-28(37)38/h5-16,19,24,27,29-30H,4,17-18H2,1-3H3,(H,37,38)/t24-,27+,29+,30+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007642
PNG
(CHEMBL3233123)
Show SMILES CC[C@@H](CN(c1ccccc1F)S(=O)(=O)C1CC1)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H31Cl2FN2O6S/c1-2-23(18-35(43(40,41)24-14-15-24)26-9-4-3-8-25(26)34)36-29(19-10-12-21(32)13-11-19)30(20-6-5-7-22(33)16-20)42-27(31(36)39)17-28(37)38/h3-13,16,23-24,27,29-30H,2,14-15,17-18H2,1H3,(H,37,38)/t23-,27+,29+,30+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448939
PNG
(CHEMBL3125524 | US9296736, 339 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)CC)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2NO5S/c1-4-21(16-35(33,34)5-2)29-24(17-9-11-19(27)12-10-17)22(18-7-6-8-20(28)13-18)14-26(3,25(29)32)15-23(30)31/h6-13,21-22,24H,4-5,14-16H2,1-3H3,(H,30,31)/t21-,22+,24+,26+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448933
PNG
(CHEMBL3125530 | US9296736, 306 | US9593129, Exampl...)
Show SMILES CC[C@@H](CS(=O)(=O)C1CCCC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H35Cl2NO5S/c1-3-23(18-38(36,37)24-9-4-5-10-24)32-27(19-11-13-21(30)14-12-19)25(20-7-6-8-22(31)15-20)16-29(2,28(32)35)17-26(33)34/h6-8,11-15,23-25,27H,3-5,9-10,16-18H2,1-2H3,(H,33,34)/t23-,25+,27+,29+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448956
PNG
(CHEMBL3125700 | US9296736, 338 | US9593129, Exampl...)
Show SMILES CC(C)[C@@H](CS(C)(=O)=O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2NO5S/c1-16(2)22(15-35(4,33)34)29-24(17-8-10-19(27)11-9-17)21(18-6-5-7-20(28)12-18)13-26(3,25(29)32)14-23(30)31/h5-12,16,21-22,24H,13-15H2,1-4H3,(H,30,31)/t21-,22-,24-,26-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448931
PNG
(CHEMBL3125532)
Show SMILES CC[C@@H](CS(=O)(=O)c1ccccc1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H31Cl2NO5S/c1-3-24(19-39(37,38)25-10-5-4-6-11-25)33-28(20-12-14-22(31)15-13-20)26(21-8-7-9-23(32)16-21)17-30(2,29(33)36)18-27(34)35/h4-16,24,26,28H,3,17-19H2,1-2H3,(H,34,35)/t24-,26+,28+,30+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448960
PNG
(CHEMBL3125540 | US9296736, 365 | US9593129, Exampl...)
Show SMILES CC(C)S(=O)(=O)C[C@@H](N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(C)(C)C |r|
Show InChI InChI=1S/C29H37Cl2NO5S/c1-18(2)38(36,37)17-24(28(3,4)5)32-26(19-10-12-21(30)13-11-19)23(20-8-7-9-22(31)14-20)15-29(6,27(32)35)16-25(33)34/h7-14,18,23-24,26H,15-17H2,1-6H3,(H,33,34)/t23-,24-,26-,29-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448951
PNG
(CHEMBL3125706)
Show SMILES CC[C@@H](C[C@@H](C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2NO4/c1-4-21(12-16(2)30)29-24(17-8-10-19(27)11-9-17)22(18-6-5-7-20(28)13-18)14-26(3,25(29)33)15-23(31)32/h5-11,13,16,21-22,24,30H,4,12,14-15H2,1-3H3,(H,31,32)/t16-,21+,22-,24-,26-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007638
PNG
(CHEMBL3233140)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H31Cl2NO6S/c1-27(2,3)37(34,35)15-21(16-7-8-16)30-24(17-9-11-19(28)12-10-17)25(18-5-4-6-20(29)13-18)36-22(26(30)33)14-23(31)32/h4-6,9-13,16,21-22,24-25H,7-8,14-15H2,1-3H3,(H,31,32)/t21-,22-,24-,25-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007655
PNG
(CHEMBL3233137)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](CC(F)(F)F)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2F3NO6S/c1-25(2,3)39(36,37)14-19(13-26(29,30)31)32-22(15-7-9-17(27)10-8-15)23(16-5-4-6-18(28)11-16)38-20(24(32)35)12-21(33)34/h4-11,19-20,22-23H,12-14H2,1-3H3,(H,33,34)/t19-,20+,22+,23+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007646
PNG
(CHEMBL3233127)
Show SMILES CC[C@@H](CN(c1ccccc1F)S(C)(=O)=O)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H29Cl2FN2O6S/c1-3-22(17-33(41(2,38)39)24-10-5-4-9-23(24)32)34-27(18-11-13-20(30)14-12-18)28(19-7-6-8-21(31)15-19)40-25(29(34)37)16-26(35)36/h4-15,22,25,27-28H,3,16-17H2,1-2H3,(H,35,36)/t22-,25+,27+,28+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448964
PNG
(CHEMBL3125536)
Show SMILES CC(C)(C)[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C30H39Cl2NO5S/c1-28(2,3)24(18-39(37,38)29(4,5)6)33-26(19-11-13-21(31)14-12-19)23(20-9-8-10-22(32)15-20)16-30(7,27(33)36)17-25(34)35/h8-15,23-24,26H,16-18H2,1-7H3,(H,34,35)/t23-,24-,26-,30-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007639
PNG
(CHEMBL3233130)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2NO6S/c1-5-20(15-36(33,34)26(2,3)4)29-23(16-9-11-18(27)12-10-16)24(17-7-6-8-19(28)13-17)35-21(25(29)32)14-22(30)31/h6-13,20-21,23-24H,5,14-15H2,1-4H3,(H,30,31)/t20-,21+,23+,24+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448971
PNG
(CHEMBL3125514)
Show SMILES CC[C@@H](CNS(=O)(=O)C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H32Cl2N2O5S/c1-3-21(16-30-37(35,36)22-11-12-22)31-25(17-7-9-19(28)10-8-17)23(18-5-4-6-20(29)13-18)14-27(2,26(31)34)15-24(32)33/h4-10,13,21-23,25,30H,3,11-12,14-16H2,1-2H3,(H,32,33)/t21-,23+,25+,27+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007644
PNG
(CHEMBL3233125)
Show SMILES CC[C@@H](CN(c1ccc(F)cc1F)S(=O)(=O)C1CC1)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H30Cl2F2N2O6S/c1-2-23(17-36(44(41,42)24-11-12-24)26-13-10-22(34)15-25(26)35)37-29(18-6-8-20(32)9-7-18)30(19-4-3-5-21(33)14-19)43-27(31(37)40)16-28(38)39/h3-10,13-15,23-24,27,29-30H,2,11-12,16-17H2,1H3,(H,38,39)/t23-,27+,29+,30+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007657
PNG
(CHEMBL3233139)
Show SMILES CC(C)(C)[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H35Cl2NO6S/c1-27(2,3)22(16-38(35,36)28(4,5)6)31-24(17-10-12-19(29)13-11-17)25(18-8-7-9-20(30)14-18)37-21(26(31)34)15-23(32)33/h7-14,21-22,24-25H,15-16H2,1-6H3,(H,32,33)/t21-,22-,24-,25-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007658
PNG
(CHEMBL3233141)
Show SMILES CC[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](O[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H33Cl2NO6S/c1-6-21(16-37(34,35)26(2,3)4)30-23(17-10-12-19(28)13-11-17)24(18-8-7-9-20(29)14-18)36-27(5,25(30)33)15-22(31)32/h7-14,21,23-24H,6,15-16H2,1-5H3,(H,31,32)/t21-,23+,24+,27+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007643
PNG
(CHEMBL3233124)
Show SMILES CC[C@@H](CN(c1ccc(F)cc1)S(=O)(=O)C1CC1)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H31Cl2FN2O6S/c1-2-24(18-35(43(40,41)26-14-15-26)25-12-10-23(34)11-13-25)36-29(19-6-8-21(32)9-7-19)30(20-4-3-5-22(33)16-20)42-27(31(36)39)17-28(37)38/h3-13,16,24,26-27,29-30H,2,14-15,17-18H2,1H3,(H,37,38)/t24-,27+,29+,30+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448947
PNG
(CHEMBL3125702 | US9296736, 362 | US9593129, Exampl...)
Show SMILES CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448965
PNG
(CHEMBL3125535 | US9296736, 337 | US9593129, Exampl...)
Show SMILES CC(C)[C@@H](CS(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H37Cl2NO5S/c1-18(2)24(17-38(36,37)28(3,4)5)32-26(19-10-12-21(30)13-11-19)23(20-8-7-9-22(31)14-20)15-29(6,27(32)35)16-25(33)34/h7-14,18,23-24,26H,15-17H2,1-6H3,(H,33,34)/t23-,24-,26-,29-/m1/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448950
PNG
(CHEMBL3125707)
Show SMILES CC[C@@H](C[C@H](C)O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H31Cl2NO4/c1-4-21(12-16(2)30)29-24(17-8-10-19(27)11-9-17)22(18-6-5-7-20(28)13-18)14-26(3,25(29)33)15-23(31)32/h5-11,13,16,21-22,24,30H,4,12,14-15H2,1-3H3,(H,31,32)/t16-,21-,22+,24+,26+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448972
PNG
(CHEMBL3125515 | US9296736, 182 | US9593129, Exampl...)
Show SMILES CC[C@@H](CN(C)S(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H38Cl2N2O5S/c1-7-23(18-32(6)39(37,38)28(2,3)4)33-26(19-11-13-21(30)14-12-19)24(20-9-8-10-22(31)15-20)16-29(5,27(33)36)17-25(34)35/h8-15,23-24,26H,7,16-18H2,1-6H3,(H,34,35)/t23-,24+,26+,29+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448943
PNG
(CHEMBL3125710 | US9296736, 129)
Show SMILES CC[C@@H](CNS(C)(=O)=O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H30Cl2N2O5S/c1-4-20(15-28-35(3,33)34)29-23(16-8-10-18(26)11-9-16)21(17-6-5-7-19(27)12-17)13-25(2,24(29)32)14-22(30)31/h5-12,20-21,23,28H,4,13-15H2,1-3H3,(H,30,31)/t20-,21+,23+,25+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007641
PNG
(CHEMBL3233122)
Show SMILES CC[C@@H](CN(c1ccccc1)S(=O)(=O)C1CC1)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C31H32Cl2N2O6S/c1-2-24(19-34(25-9-4-3-5-10-25)42(39,40)26-15-16-26)35-29(20-11-13-22(32)14-12-20)30(21-7-6-8-23(33)17-21)41-27(31(35)38)18-28(36)37/h3-14,17,24,26-27,29-30H,2,15-16,18-19H2,1H3,(H,36,37)/t24-,27+,29+,30+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007651
PNG
(CHEMBL3233133)
Show SMILES CC[C@@H](CS(=O)(=O)c1ccccc1)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H27Cl2NO6S/c1-2-22(17-38(35,36)23-9-4-3-5-10-23)31-26(18-11-13-20(29)14-12-18)27(19-7-6-8-21(30)15-19)37-24(28(31)34)16-25(32)33/h3-15,22,24,26-27H,2,16-17H2,1H3,(H,32,33)/t22-,24+,26+,27+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448968
PNG
(CHEMBL3125516)
Show SMILES CC[C@@H](CN(C)S(=O)(=O)C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C28H34Cl2N2O5S/c1-4-22(17-31(3)38(36,37)23-12-13-23)32-26(18-8-10-20(29)11-9-18)24(19-6-5-7-21(30)14-19)15-28(2,27(32)35)16-25(33)34/h5-11,14,22-24,26H,4,12-13,15-17H2,1-3H3,(H,33,34)/t22-,24+,26+,28+/m0/s1
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50007652
PNG
(CHEMBL3233134)
Show SMILES CC[C@@H](CS(=O)(=O)N(C)C)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H28Cl2N2O6S/c1-4-19(14-35(32,33)27(2)3)28-22(15-8-10-17(25)11-9-15)23(16-6-5-7-18(26)12-16)34-20(24(28)31)13-21(29)30/h5-12,19-20,22-23H,4,13-14H2,1-3H3,(H,29,30)/t19-,20+,22+,23+/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f...


J Med Chem 57: 2472-88 (2014)


Article DOI: 10.1021/jm401767k
BindingDB Entry DOI: 10.7270/Q2C24XZZ
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50448957
PNG
(CHEMBL3125699)
Show SMILES C[C@@H](CS(C)(=O)=O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H27Cl2NO5S/c1-15(14-33(3,31)32)27-22(16-7-9-18(25)10-8-16)20(17-5-4-6-19(26)11-17)12-24(2,23(27)30)13-21(28)29/h4-11,15,20,22H,12-14H2,1-3H3,(H,28,29)/t15-,20+,22+,24+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay


J Med Chem 57: 1454-72 (2014)


Article DOI: 10.1021/jm401753e
BindingDB Entry DOI: 10.7270/Q24M960Z
More data for this
Ligand-Target Pair
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