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Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50042883   
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))
BDBM50432665
PNG
(CHEMBL2347375)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23-,25+,29+/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432665
PNG
(CHEMBL2347375)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23-,25+,29+/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50397778
PNG
(CHEMBL2177813 | US9593129, Example 35)
Show SMILES OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432651
PNG
(CHEMBL2347394)
Show SMILES COc1cccc2O[C@@H](C3=C(N(C)c4ncnn4[C@H]3c3ccc(Br)cc3)c12)c1ccc(Br)cc1
Show InChI InChI=1S/C26H20Br2N4O2/c1-31-24-21-19(33-2)4-3-5-20(21)34-25(16-8-12-18(28)13-9-16)22(24)23(32-26(31)29-14-30-32)15-6-10-17(27)11-7-15/h3-14,23,25H,1-2H3/t23-,25+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432637
PNG
(CHEMBL2177203 | US9593129, Example 41)
Show SMILES OC(=O)C[C@@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20+,22+/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432636
PNG
(CHEMBL2347383)
Show SMILES CCC[C@@H](N1[C@@H]([C@@H](O[C@@H](Cc2ccc(F)cc2)C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C28H26Cl2FNO4/c1-2-3-23(28(34)35)32-25(18-6-10-20(29)11-7-18)26(19-8-12-21(30)13-9-19)36-24(27(32)33)16-17-4-14-22(31)15-5-17/h4-15,23-26H,2-3,16H2,1H3,(H,34,35)/t23-,24+,25-,26+/m1/s1
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n/an/a 86n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50229787
PNG
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)
Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1
Show InChI InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
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n/an/a 89n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432635
PNG
(CHEMBL2347389)
Show SMILES OC(=O)C[C@@H]1O[C@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20+,21-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432638
PNG
(CHEMBL2347377)
Show SMILES OC(=O)C[C@@H]1O[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20+,21+/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432639
PNG
(CHEMBL2347376)
Show SMILES OC(=O)C[C@H]1O[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20-,21-/m1/s1
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n/an/a 290n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432635
PNG
(CHEMBL2347389)
Show SMILES OC(=O)C[C@@H]1O[C@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20+,21-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50397778
PNG
(CHEMBL2177813 | US9593129, Example 35)
Show SMILES OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1
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n/an/a 360n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432652
PNG
(CHEMBL2347393)
Show SMILES CC[C@@H](CO)N1[C@@H]([C@@H](O[C@@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H23Cl2NO5/c1-2-17(12-26)25-20(13-6-8-15(23)9-7-13)21(14-4-3-5-16(24)10-14)30-18(22(25)29)11-19(27)28/h3-10,17-18,20-21,26H,2,11-12H2,1H3,(H,27,28)/t17-,18-,20+,21-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432646
PNG
(CHEMBL2347388)
Show SMILES OCC[C@@H]1O[C@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H23Cl2NO3/c23-17-8-6-15(7-9-17)20-21(16-2-1-3-18(24)12-16)28-19(10-11-26)22(27)25(20)13-14-4-5-14/h1-3,6-9,12,14,19-21,26H,4-5,10-11,13H2/t19-,20+,21-/m0/s1
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n/an/a 880n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432651
PNG
(CHEMBL2347394)
Show SMILES COc1cccc2O[C@@H](C3=C(N(C)c4ncnn4[C@H]3c3ccc(Br)cc3)c12)c1ccc(Br)cc1
Show InChI InChI=1S/C26H20Br2N4O2/c1-31-24-21-19(33-2)4-3-5-20(21)34-25(16-8-12-18(28)13-9-16)22(24)23(32-26(31)29-14-30-32)15-6-10-17(27)11-7-15/h3-14,23,25H,1-2H3/t23-,25+/m0/s1
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n/an/a 960n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432658
PNG
(CHEMBL2347399)
Show SMILES CN1[C@@H]([C@@H](O[C@@H](Cc2ccccc2)C1=O)c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H21Br2NO2/c1-27-22(17-7-11-19(25)12-8-17)23(18-9-13-20(26)14-10-18)29-21(24(27)28)15-16-5-3-2-4-6-16/h2-14,21-23H,15H2,1H3/t21-,22+,23-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432637
PNG
(CHEMBL2177203 | US9593129, Example 41)
Show SMILES OC(=O)C[C@@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20+,22+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432644
PNG
(CHEMBL2347391)
Show SMILES OC(=O)CC[C@@H]1O[C@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO4/c24-17-8-6-15(7-9-17)21-22(16-2-1-3-18(25)12-16)30-19(10-11-20(27)28)23(29)26(21)13-14-4-5-14/h1-3,6-9,12,14,19,21-22H,4-5,10-11,13H2,(H,27,28)/t19-,21+,22-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432647
PNG
(CHEMBL2347387)
Show SMILES Clc1ccc(cc1)[C@@H]1[C@@H](O[C@@H](CC=C)C(=O)N1CC1CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO2/c1-2-4-20-23(27)26(14-15-7-8-15)21(16-9-11-18(24)12-10-16)22(28-20)17-5-3-6-19(25)13-17/h2-3,5-6,9-13,15,20-22H,1,4,7-8,14H2/t20-,21+,22-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432656
PNG
(CHEMBL2347403)
Show SMILES CN1[C@@H]([C@@H](O[C@@H](Cc2ccc(Br)cc2)C1=O)c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H20Br3NO2/c1-28-22(16-4-10-19(26)11-5-16)23(17-6-12-20(27)13-7-17)30-21(24(28)29)14-15-2-8-18(25)9-3-15/h2-13,21-23H,14H2,1H3/t21-,22+,23-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432635
PNG
(CHEMBL2347389)
Show SMILES OC(=O)C[C@@H]1O[C@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20+,21-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432649
PNG
(CHEMBL2347385)
Show SMILES Clc1ccc(cc1)[C@@H]1[C@@H](OCC(=O)N1CC1CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C20H19Cl2NO2/c21-16-8-6-14(7-9-16)19-20(15-2-1-3-17(22)10-15)25-12-18(24)23(19)11-13-4-5-13/h1-3,6-10,13,19-20H,4-5,11-12H2/t19-,20+/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432659
PNG
(CHEMBL2347401)
Show SMILES CN1[C@@H]([C@@H](O[C@@H](Cc2ccccc2)C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21Cl2NO2/c1-27-22(17-7-11-19(25)12-8-17)23(18-9-13-20(26)14-10-18)29-21(24(27)28)15-16-5-3-2-4-6-16/h2-14,21-23H,15H2,1H3/t21-,22+,23-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432655
PNG
(CHEMBL2347380)
Show SMILES CN1[C@@H]([C@@H](O[C@@H](Cc2ccc(F)cc2)C1=O)c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H20Br2FNO2/c1-28-22(16-4-8-18(25)9-5-16)23(17-6-10-19(26)11-7-17)30-21(24(28)29)14-15-2-12-20(27)13-3-15/h2-13,21-23H,14H2,1H3/t21-,22+,23-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432654
PNG
(CHEMBL2347381)
Show SMILES COc1ccc(C[C@@H]2O[C@H]([C@H](N(C)C2=O)c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C25H23Br2NO3/c1-28-23(17-5-9-19(26)10-6-17)24(18-7-11-20(27)12-8-18)31-22(25(28)29)15-16-3-13-21(30-2)14-4-16/h3-14,22-24H,15H2,1-2H3/t22-,23+,24-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432658
PNG
(CHEMBL2347399)
Show SMILES CN1[C@@H]([C@@H](O[C@@H](Cc2ccccc2)C1=O)c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C24H21Br2NO2/c1-27-22(17-7-11-19(25)12-8-17)23(18-9-13-20(26)14-10-18)29-21(24(27)28)15-16-5-3-2-4-6-16/h2-14,21-23H,15H2,1H3/t21-,22+,23-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432653
PNG
(CHEMBL2347382)
Show SMILES COc1cccc(C[C@@H]2O[C@H]([C@H](N(C)C2=O)c2ccc(Br)cc2)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C25H23Br2NO3/c1-28-23(17-6-10-19(26)11-7-17)24(18-8-12-20(27)13-9-18)31-22(25(28)29)15-16-4-3-5-21(14-16)30-2/h3-14,22-24H,15H2,1-2H3/t22-,23+,24-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432642
PNG
(CHEMBL2059299)
Show SMILES OC(=O)C[C@@H]1C[C@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22+/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432638
PNG
(CHEMBL2347377)
Show SMILES OC(=O)C[C@@H]1O[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20+,21+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432641
PNG
(CHEMBL2347378)
Show SMILES OC(=O)C[C@H]1C[C@H]([C@@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20+,22+/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432636
PNG
(CHEMBL2347383)
Show SMILES CCC[C@@H](N1[C@@H]([C@@H](O[C@@H](Cc2ccc(F)cc2)C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C28H26Cl2FNO4/c1-2-3-23(28(34)35)32-25(18-6-10-20(29)11-7-18)26(19-8-12-21(30)13-9-19)36-24(27(32)33)16-17-4-14-22(31)15-5-17/h4-15,23-26H,2-3,16H2,1H3,(H,34,35)/t23-,24+,25-,26+/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50397778
PNG
(CHEMBL2177813 | US9593129, Example 35)
Show SMILES OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of MDM2-induced proliferation of human SJSA1 cells assessed as EdU incorporation by High content screening assay in presence of 10% serum


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432635
PNG
(CHEMBL2347389)
Show SMILES OC(=O)C[C@@H]1O[C@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20+,21-/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432639
PNG
(CHEMBL2347376)
Show SMILES OC(=O)C[C@H]1O[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20-,21-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432661
PNG
(CHEMBL2347398)
Show SMILES CN1[C@@H]([C@@H](OCC1=O)c1ccc(Br)cc1)c1ccc(Br)cc1
Show InChI InChI=1S/C17H15Br2NO2/c1-20-15(21)10-22-17(12-4-8-14(19)9-5-12)16(20)11-2-6-13(18)7-3-11/h2-9,16-17H,10H2,1H3/t16-,17+/m1/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432635
PNG
(CHEMBL2347389)
Show SMILES OC(=O)C[C@@H]1O[C@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20+,21-/m0/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of MDM2-induced proliferation of human SJSA1 cells assessed as EdU incorporation by High content screening assay in presence of 10% serum


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432636
PNG
(CHEMBL2347383)
Show SMILES CCC[C@@H](N1[C@@H]([C@@H](O[C@@H](Cc2ccc(F)cc2)C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C28H26Cl2FNO4/c1-2-3-23(28(34)35)32-25(18-6-10-20(29)11-7-18)26(19-8-12-21(30)13-9-19)36-24(27(32)33)16-17-4-14-22(31)15-5-17/h4-15,23-26H,2-3,16H2,1H3,(H,34,35)/t23-,24+,25-,26+/m1/s1
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n/an/a 5.90E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of MDM2-induced proliferation of human SJSA1 cells assessed as EdU incorporation by High content screening assay in presence of 10% serum


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432637
PNG
(CHEMBL2177203 | US9593129, Example 41)
Show SMILES OC(=O)C[C@@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20+,22+/m0/s1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of MDM2-induced proliferation of human SJSA1 cells assessed as EdU incorporation by High content screening assay in presence of 10% serum


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432643
PNG
(CHEMBL2347392)
Show SMILES OC(=O)C[C@H]1O[C@@H]([C@@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20+,21-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432640
PNG
(CHEMBL2347379)
Show SMILES OC(=O)C[C@@H]1C[C@H]([C@@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432645
PNG
(CHEMBL2347390)
Show SMILES CNCC[C@@H]1O[C@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H26Cl2N2O2/c1-26-12-11-20-23(28)27(14-15-5-6-15)21(16-7-9-18(24)10-8-16)22(29-20)17-3-2-4-19(25)13-17/h2-4,7-10,13,15,20-22,26H,5-6,11-12,14H2,1H3/t20-,21+,22-/m0/s1
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n/an/a 9.90E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432650
PNG
(CHEMBL2347384)
Show SMILES CN1[C@@H]([C@@H](OCC1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15Cl2NO2/c1-20-15(21)10-22-17(12-3-2-4-14(19)9-12)16(20)11-5-7-13(18)8-6-11/h2-9,16-17H,10H2,1H3/t16-,17+/m1/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432662
PNG
(CHEMBL2347397)
Show SMILES CC(C)N[C@@H]1CC[C@@H]([C@@H](C1)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25Cl2N/c1-14(2)24-19-11-12-20(15-3-7-17(22)8-4-15)21(13-19)16-5-9-18(23)10-6-16/h3-10,14,19-21,24H,11-13H2,1-2H3/t19-,20-,21+/m1/s1
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n/an/a 1.41E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432646
PNG
(CHEMBL2347388)
Show SMILES OCC[C@@H]1O[C@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H23Cl2NO3/c23-17-8-6-15(7-9-17)20-21(16-2-1-3-18(24)12-16)28-19(10-11-26)22(27)25(20)13-14-4-5-14/h1-3,6-9,12,14,19-21,26H,4-5,10-11,13H2/t19-,20+,21-/m0/s1
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n/an/a 1.44E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432644
PNG
(CHEMBL2347391)
Show SMILES OC(=O)CC[C@@H]1O[C@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO4/c24-17-8-6-15(7-9-17)21-22(16-2-1-3-18(25)12-16)30-19(10-11-20(27)28)23(29)26(21)13-14-4-5-14/h1-3,6-9,12,14,19,21-22H,4-5,10-11,13H2,(H,27,28)/t19-,21+,22-/m0/s1
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n/an/a 1.52E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432638
PNG
(CHEMBL2347377)
Show SMILES OC(=O)C[C@@H]1O[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20+,21+/m0/s1
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n/an/a 1.53E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of MDM2-induced proliferation of human SJSA1 cells assessed as EdU incorporation by High content screening assay in presence of 10% serum


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432635
PNG
(CHEMBL2347389)
Show SMILES OC(=O)C[C@@H]1O[C@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20+,21-/m0/s1
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n/an/a 1.57E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of MDM2-induced proliferation of human SJSA1 cells assessed as EdU incorporation by High content screening assay in presence of 10% serum


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50432639
PNG
(CHEMBL2347376)
Show SMILES OC(=O)C[C@H]1O[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21Cl2NO4/c23-16-8-6-14(7-9-16)20-21(15-2-1-3-17(24)10-15)29-18(11-19(26)27)22(28)25(20)12-13-4-5-13/h1-3,6-10,13,18,20-21H,4-5,11-12H2,(H,26,27)/t18-,20-,21-/m1/s1
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n/an/a 1.67E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of MDM2-induced proliferation of human SJSA1 cells assessed as EdU incorporation by High content screening assay in presence of 10% serum


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50397778
PNG
(CHEMBL2177813 | US9593129, Example 35)
Show SMILES OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C23H23Cl2NO3/c24-18-8-6-15(7-9-18)22-20(16-2-1-3-19(25)10-16)11-17(12-21(27)28)23(29)26(22)13-14-4-5-14/h1-3,6-10,14,17,20,22H,4-5,11-13H2,(H,27,28)/t17-,20-,22-/m1/s1
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n/an/a 1.81E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of MDM2 in human SJSA1 cells assessed as upregulation of p21 transcript level after 7 hrs by qRT-PCR analysis in presence of 10% serum


J Med Chem 56: 4053-70 (2013)


Article DOI: 10.1021/jm400293z
BindingDB Entry DOI: 10.7270/Q2HD7X1P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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