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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50045593   
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
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
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))
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
PDB
MMDB

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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))
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
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))
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
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))
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))
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
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))
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
PDB
MMDB

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n/an/a 0.180n/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))
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
PDB
MMDB

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n/an/a 0.180n/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))
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
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))
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
PDB
MMDB

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n/an/a 0.210n/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))
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
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))
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))
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
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))
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
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))
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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n/an/a 0.420n/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))
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
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
PDB
MMDB

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n/an/a 0.490n/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))
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
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))
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))
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))
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
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))
BDBM144638
PNG
(US8952036, Ex. 3)
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)c(F)c2)c2cccc(Cl)c2)ccc1C(O)=O |r|
Show InChI InChI=1/C37H41Cl2FN2O7S/c1-36(2,3)50(47,48)20-30(21-9-10-21)42-33(23-11-14-28(39)29(40)16-23)27(22-7-6-8-24(38)15-22)18-37(4,35(42)46)19-32(43)41-25-12-13-26(34(44)45)31(17-25)49-5/h6-8,11-17,21,27,30,33H,9-10,18-20H2,1-5H3,(H,41,43)(H,44,45)/t27-,30-,33-,37-/s2
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 ( 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
3D
3D Structure (crystal)
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 0.630n/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
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))
BDBM50069786
PNG
(CHEMBL3407567)
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:13.43,16.18,8.8,25.29,wD:14.35,22.22,(.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,;-5.18,-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))
BDBM50069783
PNG
(CHEMBL3407570)
Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)N2CCC(CC2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C35H44Cl2N2O6S/c1-34(2,3)46(44,45)21-29(22-8-9-22)39-31(23-10-12-26(36)13-11-23)28(25-6-5-7-27(37)18-25)19-35(4,33(39)43)20-30(40)38-16-14-24(15-17-38)32(41)42/h5-7,10-13,18,22,24,28-29,31H,8-9,14-17,19-21H2,1-4H3,(H,41,42)/t28-,29-,31-,35-/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))
BDBM50069780
PNG
(CHEMBL3407573)
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,wD:14.33,22.22,24.27,(.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 0.830n/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))
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
PDB
MMDB

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n/an/a 1.10n/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))
BDBM50069787
PNG
(CHEMBL3407566)
Show SMILES CN(C(=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)c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1/C37H42Cl2N2O6S/c1-36(2,3)48(46,47)22-31(23-9-10-23)41-33(24-11-15-27(38)16-12-24)30(26-7-6-8-28(39)19-26)20-37(4,35(41)45)21-32(42)40(5)29-17-13-25(14-18-29)34(43)44/h6-8,11-19,23,30-31,33H,9-10,20-22H2,1-5H3,(H,43,44)/t30-,31-,33-,37-/s2
PDB
MMDB

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n/an/a 1.80n/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))
BDBM50069790
PNG
(CHEMBL3407563)
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#N)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1/C36H39Cl2N3O4S/c1-35(2,3)46(44,45)22-31(24-10-11-24)41-33(25-12-14-27(37)15-13-25)30(26-6-5-7-28(38)18-26)19-36(4,34(41)43)20-32(42)40-29-16-8-23(21-39)9-17-29/h5-9,12-18,24,30-31,33H,10-11,19-20,22H2,1-4H3,(H,40,42)/t30-,31-,33-,36-/s2
PDB
MMDB

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n/an/a 2.40n/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))
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
PDB
MMDB

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n/an/a 6.40n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human SJSA1 cells assessed as induction of p21 gene level after 7 hrs by qRT-PCR assay in presence of 10% human serum


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
PDB
MMDB

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n/an/a 16n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human SJSA1 cells assessed as induction of p21 gene level after 7 hrs by qRT-PCR assay in presence of 10% human serum


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))
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
PDB
MMDB

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n/an/a 18n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human SJSA1 cells assessed as induction of p21 gene level after 7 hrs by qRT-PCR assay in presence of 10% human serum


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 47n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 in human SJSA1 cells assessed as induction of p21 gene level after 7 hrs by qRT-PCR assay in presence of 10% human serum


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/an/a 45n/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by by surface plasmon resonace spectroscopy


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))
BDBM144638
PNG
(US8952036, Ex. 3)
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)c(F)c2)c2cccc(Cl)c2)ccc1C(O)=O |r|
Show InChI InChI=1/C37H41Cl2FN2O7S/c1-36(2,3)50(47,48)20-30(21-9-10-21)42-33(23-11-14-28(39)29(40)16-23)27(22-7-6-8-24(38)15-22)18-37(4,35(42)46)19-32(43)41-25-12-13-26(34(44)45)31(17-25)49-5/h6-8,11-17,21,27,30,33H,9-10,18-20H2,1-5H3,(H,41,43)(H,44,45)/t27-,30-,33-,37-/s2
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MMDB

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n/an/an/a 257n/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by by isothermal titration calorimetry


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
3D
3D Structure (crystal)
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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MMDB

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n/an/an/a 38n/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human MDM2 by by isothermal titration calorimetry


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