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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50044171   
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))
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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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 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))
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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n/an/a 0.300n/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))
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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n/an/a 0.300n/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))
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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n/an/a 0.400n/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
3D
3D Structure (crystal)
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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n/an/a 0.400n/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))
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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n/an/a 0.400n/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))
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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n/an/a 0.5n/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))
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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n/an/a 0.5n/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
3D
3D Structure (crystal)
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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n/an/a 0.5n/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))
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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n/an/a 0.600n/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))
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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n/an/a 0.800n/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))
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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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))
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
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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))
BDBM50007649
PNG
(CHEMBL3233131)
Show SMILES CC[C@@H](CS(=O)(=O)CC(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/C27H33Cl2NO6S/c1-5-21(15-37(34,35)16-27(2,3)4)30-24(17-9-11-19(28)12-10-17)25(18-7-6-8-20(29)13-18)36-22(26(30)33)14-23(31)32/h6-13,21-22,24-25H,5,14-16H2,1-4H3,(H,31,32)/t21-,22+,24+,25+/m0/s1
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n/an/a 1n/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))
BDBM50007654
PNG
(CHEMBL3233136)
Show SMILES 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/C25H29Cl2NO6S/c1-15(14-35(32,33)25(2,3)4)28-22(16-8-10-18(26)11-9-16)23(17-6-5-7-19(27)12-17)34-20(24(28)31)13-21(29)30/h5-12,15,20,22-23H,13-14H2,1-4H3,(H,29,30)/t15-,20+,22+,23+/m0/s1
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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 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))
BDBM50007640
PNG
(CHEMBL3233121)
Show SMILES CC[C@@H](CN(C)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/C26H30Cl2N2O6S/c1-3-20(15-29(2)37(34,35)21-11-12-21)30-24(16-7-9-18(27)10-8-16)25(17-5-4-6-19(28)13-17)36-22(26(30)33)14-23(31)32/h4-10,13,20-22,24-25H,3,11-12,14-15H2,1-2H3,(H,31,32)/t20-,22+,24+,25+/m0/s1
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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 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))
BDBM50007648
PNG
(CHEMBL3233129)
Show SMILES CC[C@@H](CS(=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/C25H29Cl2NO6S/c1-4-20(14-35(32,33)15(2)3)28-23(16-8-10-18(26)11-9-16)24(17-6-5-7-19(27)12-17)34-21(25(28)31)13-22(29)30/h5-12,15,20-21,23-24H,4,13-14H2,1-3H3,(H,29,30)/t20-,21+,23+,24+/m0/s1
PDB
MMDB

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n/an/a 1.30n/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))
BDBM50007656
PNG
(CHEMBL3233138)
Show SMILES CC(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/C27H33Cl2NO6S/c1-16(2)21(15-37(34,35)27(3,4)5)30-24(17-9-11-19(28)12-10-17)25(18-7-6-8-20(29)13-18)36-22(26(30)33)14-23(31)32/h6-13,16,21-22,24-25H,14-15H2,1-5H3,(H,31,32)/t21-,22-,24-,25-/m1/s1
PDB
MMDB

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n/an/a 2n/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))
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
PDB
MMDB

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n/an/a 2n/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))
BDBM50007647
PNG
(CHEMBL3233128)
Show SMILES CC[C@@H](CS(=O)(=O)CC)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C24H27Cl2NO6S/c1-3-19(14-34(31,32)4-2)27-22(15-8-10-17(25)11-9-15)23(16-6-5-7-18(26)12-16)33-20(24(27)30)13-21(28)29/h5-12,19-20,22-23H,3-4,13-14H2,1-2H3,(H,28,29)/t19-,20+,22+,23+/m0/s1
PDB
MMDB

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n/an/a 3n/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))
BDBM50007653
PNG
(CHEMBL3233135)
Show SMILES CC[C@@H](CS(=O)(=O)C1COC1)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C25H27Cl2NO7S/c1-2-19(14-36(32,33)20-12-34-13-20)28-23(15-6-8-17(26)9-7-15)24(16-4-3-5-18(27)10-16)35-21(25(28)31)11-22(29)30/h3-10,19-21,23-24H,2,11-14H2,1H3,(H,29,30)/t19-,21+,23+,24+/m0/s1
PDB
MMDB

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n/an/a 5n/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))
BDBM50007650
PNG
(CHEMBL3233132)
Show SMILES CC[C@@H](CS(=O)(=O)C1CCCC1)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/c1-2-21(16-37(34,35)22-8-3-4-9-22)30-25(17-10-12-19(28)13-11-17)26(18-6-5-7-20(29)14-18)36-23(27(30)33)15-24(31)32/h5-7,10-14,21-23,25-26H,2-4,8-9,15-16H2,1H3,(H,31,32)/t21-,23+,25+,26+/m0/s1
PDB
MMDB

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n/an/a 5n/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