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Compile Data Set for Download or QSAR

Found 408 hits with Last Name = 'wang' and Initial = 'yc'   
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
Protease


(Human immunodeficiency virus 1 (HIV-1))
BDBM8125
PNG
((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1
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n/an/a 0.0610n/an/an/an/an/a25



Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease expressed in Escherichia coli incubated for 20 to 30 mins at room temperature using (Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-I...


Bioorg Med Chem Lett 25: 1880-3 (2015)


Article DOI: 10.1016/j.bmcl.2015.03.047
BindingDB Entry DOI: 10.7270/Q2FT8NQ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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))
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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n/an/a 0.100n/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
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 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))
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))
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))
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))
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))
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 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM144636
PNG
(US8952036, Ex. 4)
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)c(F)c1 |r|
Show InChI InChI=1/C29H34Cl2FNO5S/c1-28(2,3)39(37,38)16-24(17-8-9-17)33-26(19-10-11-22(31)23(32)13-19)21(18-6-5-7-20(30)12-18)14-29(4,27(33)36)15-25(34)35/h5-7,10-13,17,21,24,26H,8-9,14-16H2,1-4H3,(H,34,35)/t21-,24-,26-,29-/s2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069769
PNG
(CHEMBL3407555)
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)c1F)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C29H34Cl2FNO5S/c1-28(2,3)39(37,38)16-23(17-8-9-17)33-26(18-10-12-19(30)13-11-18)21(20-6-5-7-22(31)25(20)32)14-29(4,27(33)36)15-24(34)35/h5-7,10-13,17,21,23,26H,8-9,14-16H2,1-4H3,(H,34,35)/t21-,23-,26-,29-/s2
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n/an/a<0.100n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069784
PNG
(CHEMBL3407569)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)NC23CCC(CC2)(CC3)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C38H48Cl2N2O6S/c1-35(2,3)49(47,48)23-30(24-8-9-24)42-32(25-10-12-27(39)13-11-25)29(26-6-5-7-28(40)20-26)21-36(4,33(42)44)22-31(43)41-38-17-14-37(15-18-38,16-19-38)34(45)46/h5-7,10-13,20,24,29-30,32H,8-9,14-19,21-23H2,1-4H3,(H,41,43)(H,45,46)/t29-,30-,32-,36-,37?,38?/s2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM144637
PNG
(US8952036, Ex. 5)
Show SMILES COc1cc(NC(=O)C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ccc1C(O)=O |r|
Show InChI InChI=1/C37H42Cl2N2O7S/c1-36(2,3)49(46,47)21-30(22-9-10-22)41-33(23-11-13-25(38)14-12-23)29(24-7-6-8-26(39)17-24)19-37(4,35(41)45)20-32(42)40-27-15-16-28(34(43)44)31(18-27)48-5/h6-8,11-18,22,29-30,33H,9-10,19-21H2,1-5H3,(H,40,42)(H,43,44)/t29-,30-,33-,37-/s2
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n/an/a 0.130n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50008760
PNG
(CHEMBL3236364)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(N)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C29H36Cl2N2O4S/c1-28(2,3)38(36,37)17-24(18-8-9-18)33-26(19-10-12-21(30)13-11-19)23(20-6-5-7-22(31)14-20)15-29(4,27(33)35)16-25(32)34/h5-7,10-14,18,23-24,26H,8-9,15-17H2,1-4H3,(H2,32,34)/t23-,24-,26-,29-/m1/s1
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MMDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069796
PNG
(CHEMBL3407557)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)Nc2ccc(cc2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C36H40Cl2N2O6S/c1-35(2,3)47(45,46)21-30(22-8-9-22)40-32(23-10-14-26(37)15-11-23)29(25-6-5-7-27(38)18-25)19-36(4,34(40)44)20-31(41)39-28-16-12-24(13-17-28)33(42)43/h5-7,10-18,22,29-30,32H,8-9,19-21H2,1-4H3,(H,39,41)(H,42,43)/t29-,30-,32-,36-/s2
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MMDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069795
PNG
(CHEMBL3407559)
Show SMILES COc1cc(ccc1NC(=O)C[C@@]1(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1)C(O)=O |r|
Show InChI InChI=1/C37H42Cl2N2O7S/c1-36(2,3)49(46,47)21-30(22-9-10-22)41-33(23-11-14-26(38)15-12-23)28(24-7-6-8-27(39)17-24)19-37(4,35(41)45)20-32(42)40-29-16-13-25(34(43)44)18-31(29)48-5/h6-8,11-18,22,28,30,33H,9-10,19-21H2,1-5H3,(H,40,42)(H,43,44)/t28-,30-,33-,37-/s2
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MMDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
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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MMDB

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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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MMDB

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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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MMDB

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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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MMDB

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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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MMDB

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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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MMDB

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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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MMDB

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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))
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))
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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MMDB

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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))
BDBM50069788
PNG
(CHEMBL3407565)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)Nc2ccc(CC(O)=O)cc2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C37H42Cl2N2O6S/c1-36(2,3)48(46,47)22-31(24-10-11-24)41-34(25-12-14-27(38)15-13-25)30(26-6-5-7-28(39)19-26)20-37(4,35(41)45)21-32(42)40-29-16-8-23(9-17-29)18-33(43)44/h5-9,12-17,19,24,30-31,34H,10-11,18,20-22H2,1-4H3,(H,40,42)(H,43,44)/t30-,31-,34-,37-/s2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069794
PNG
(CHEMBL3407560)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C36H40Cl2N2O6S/c1-35(2,3)47(45,46)21-30(22-11-12-22)40-32(23-13-15-26(37)16-14-23)29(24-7-5-9-27(38)17-24)19-36(4,34(40)44)20-31(41)39-28-10-6-8-25(18-28)33(42)43/h5-10,13-18,22,29-30,32H,11-12,19-21H2,1-4H3,(H,39,41)(H,42,43)/t29-,30-,32-,36-/s2
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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069789
PNG
(CHEMBL3407564)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)Nc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C35H39Cl2N3O6S/c1-34(2,3)47(45,46)20-28(21-8-9-21)40-31(22-10-13-25(36)14-11-22)27(23-6-5-7-26(37)16-23)17-35(4,33(40)44)18-30(41)39-29-15-12-24(19-38-29)32(42)43/h5-7,10-16,19,21,27-28,31H,8-9,17-18,20H2,1-4H3,(H,42,43)(H,38,39,41)/t27-,28-,31-,35-/s2
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MMDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069779
PNG
(CHEMBL3407574)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CC(C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C33H40Cl2N2O6S/c1-32(2,3)44(42,43)19-27(20-8-9-20)37-29(21-10-12-24(34)13-11-21)26(22-6-5-7-25(35)14-22)15-33(4,31(37)41)16-28(38)36-17-23(18-36)30(39)40/h5-7,10-14,20,23,26-27,29H,8-9,15-19H2,1-4H3,(H,39,40)/t26-,27-,29-,33-/s2
PDB
MMDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
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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MMDB

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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
PDB
MMDB

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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))
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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MMDB

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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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MMDB

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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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MMDB

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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))
BDBM50069797
PNG
(CHEMBL3407556)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)Nc2ccccc2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C35H40Cl2N2O4S/c1-34(2,3)44(42,43)22-30(23-13-14-23)39-32(24-15-17-26(36)18-16-24)29(25-9-8-10-27(37)19-25)20-35(4,33(39)41)21-31(40)38-28-11-6-5-7-12-28/h5-12,15-19,23,29-30,32H,13-14,20-22H2,1-4H3,(H,38,40)/t29-,30-,32-,35-/s2
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MMDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069793
PNG
(CHEMBL3407561)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)Nc2ccccc2C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C36H40Cl2N2O6S/c1-35(2,3)47(45,46)21-30(22-12-13-22)40-32(23-14-16-25(37)17-15-23)28(24-8-7-9-26(38)18-24)19-36(4,34(40)44)20-31(41)39-29-11-6-5-10-27(29)33(42)43/h5-11,14-18,22,28,30,32H,12-13,19-21H2,1-4H3,(H,39,41)(H,42,43)/t28-,30-,32-,36-/s2
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MMDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
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
PDB
MMDB

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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
PDB
MMDB

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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))
BDBM50069785
PNG
(CHEMBL3407568)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N[C@H]2CC[C@H](CC2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r,wU:13.43,16.18,8.8,wD:14.35,22.22,25.29,(.26,-6,;1.33,-5.39,;1.32,-6.62,;2.39,-6.01,;1.33,-3.85,;1.33,-2.62,;.26,-3.23,;2.66,-3.08,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.39,-.13,;-1.3,-2.29,;-2.59,-3.13,;-3.69,-2.56,;-2.52,-4.66,;-3.81,-5.5,;-5.18,-4.79,;-6.47,-5.63,;-6.4,-7.17,;-5.03,-7.87,;-3.74,-7.04,;-7.7,-8,;-7.64,-9.23,;-8.79,-7.43,;,-1.54,;,-2.77,;,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;1.34,5.39,;2.41,6,;1.33,3.85,;2.67,1.54,;2.67,3.08,;4.01,3.85,;5.34,3.08,;6.41,3.69,;5.34,1.54,;4,.77,)|
Show InChI InChI=1/C36H46Cl2N2O6S/c1-35(2,3)47(45,46)21-30(22-8-9-22)40-32(23-10-14-26(37)15-11-23)29(25-6-5-7-27(38)18-25)19-36(4,34(40)44)20-31(41)39-28-16-12-24(13-17-28)33(42)43/h5-7,10-11,14-15,18,22,24,28-30,32H,8-9,12-13,16-17,19-21H2,1-4H3,(H,39,41)(H,42,43)/t24-,28+,29-,30-,32-,36-/s2
PDB
MMDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069791
PNG
(CHEMBL3407562)
Show SMILES COc1cc(NC(=O)C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ccc1C(N)=O |r|
Show InChI InChI=1/C37H43Cl2N3O6S/c1-36(2,3)49(46,47)21-30(22-9-10-22)42-33(23-11-13-25(38)14-12-23)29(24-7-6-8-26(39)17-24)19-37(4,35(42)45)20-32(43)41-27-15-16-28(34(40)44)31(18-27)48-5/h6-8,11-18,22,29-30,33H,9-10,19-21H2,1-5H3,(H2,40,44)(H,41,43)/t29-,30-,33-,37-/s2
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MMDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50069782
PNG
(CHEMBL3407571)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CCC(C)(CC2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C36H46Cl2N2O6S/c1-34(2,3)47(45,46)22-29(23-9-10-23)40-31(24-11-13-26(37)14-12-24)28(25-7-6-8-27(38)19-25)20-36(5,32(40)42)21-30(41)39-17-15-35(4,16-18-39)33(43)44/h6-8,11-14,19,23,28-29,31H,9-10,15-18,20-22H2,1-5H3,(H,43,44)/t28-,29-,31-,36-/s2
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MMDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
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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MMDB

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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))
BDBM50069798
PNG
(CHEMBL3407576)
Show SMILES COc1cc(NC(=O)C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2F)ccc1C(O)=O |r|
Show InChI InChI=1/C37H41Cl2FN2O7S/c1-36(2,3)50(47,48)20-29(21-9-10-21)42-33(22-11-13-23(38)14-12-22)27(25-7-6-8-28(39)32(25)40)18-37(4,35(42)46)19-31(43)41-24-15-16-26(34(44)45)30(17-24)49-5/h6-8,11-17,21,27,29,33H,9-10,18-20H2,1-5H3,(H,41,43)(H,44,45)/t27-,29-,33-,37-/s2
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MMDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM144637
PNG
(US8952036, Ex. 5)
Show SMILES COc1cc(NC(=O)C[C@@]2(C)C[C@@H]([C@H](N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)c2ccc(Cl)cc2)c2cccc(Cl)c2)ccc1C(O)=O |r|
Show InChI InChI=1/C37H42Cl2N2O7S/c1-36(2,3)49(46,47)21-30(22-9-10-22)41-33(23-11-13-25(38)14-12-23)29(24-7-6-8-26(39)17-24)19-37(4,35(41)45)20-32(42)40-27-15-16-28(34(43)44)31(18-27)48-5/h6-8,11-18,22,29-30,33H,9-10,19-21H2,1-5H3,(H,40,42)(H,43,44)/t29-,30-,33-,37-/s2
PDB
MMDB

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Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
More data for this
Ligand-Target Pair
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
PDB
MMDB

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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))
BDBM50069781
PNG
(CHEMBL3407572)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N[C@H]2C[C@@H](C2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r,wU:13.41,16.18,8.8,24.27,wD:14.33,22.22,(.26,-6,;1.33,-5.39,;1.32,-6.62,;2.39,-6.01,;1.33,-3.85,;1.33,-2.62,;.26,-3.23,;2.66,-3.08,;2.67,-1.54,;4,-.77,;5.46,-.81,;4.69,.52,;1.33,-.77,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.39,-.13,;-1.3,-2.29,;-2.59,-3.13,;-3.69,-2.56,;-2.52,-4.66,;-3.81,-5.5,;-5.27,-5.14,;-5.6,-6.65,;-4.09,-6.98,;-6.89,-7.48,;-6.83,-8.71,;-7.98,-6.91,;,-1.54,;,-2.77,;,3.08,;-1.33,3.85,;-1.33,5.39,;0,6.16,;1.34,5.39,;2.41,6,;1.33,3.85,;2.67,1.54,;2.67,3.08,;4.01,3.85,;5.34,3.08,;6.41,3.69,;5.34,1.54,;4,.77,)|
Show InChI InChI=1/C34H42Cl2N2O6S/c1-33(2,3)45(43,44)19-28(20-8-9-20)38-30(21-10-12-24(35)13-11-21)27(22-6-5-7-25(36)14-22)17-34(4,32(38)42)18-29(39)37-26-15-23(16-26)31(40)41/h5-7,10-14,20,23,26-28,30H,8-9,15-19H2,1-4H3,(H,37,39)(H,40,41)/t23-,26-,27-,28-,30-,34-/s2
PDB
MMDB

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n/an/a 0.520n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...


J Med Chem 57: 10499-511 (2014)


Article DOI: 10.1021/jm501550p
BindingDB Entry DOI: 10.7270/Q2571DPW
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
PDB
MMDB

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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
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