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Found 3796 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2'   
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))
BDBM50069799
PNG
(CHEMBL3407579 | US9187441, 7M)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cc(F)c(F)c(F)c1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H21ClF3N3O4/c1-23(2,3)29-21(32)20(30(10-31)9-11-6-14(25)18(27)15(26)7-11)17-13-5-4-12(24)8-16(13)28-19(17)22(33)34/h4-8,10,20,28H,9H2,1-3H3,(H,29,32)(H,33,34)
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0.130 -55.5n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192221
PNG
(US9187441, 7K)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(F)c(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H21ClF3N3O4/c1-23(2,3)29-21(32)20(30(10-31)9-11-4-7-14(25)18(27)17(11)26)16-13-6-5-12(24)8-15(13)28-19(16)22(33)34/h4-8,10,20,28H,9H2,1-3H3,(H,29,32)(H,33,34)
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0.150 -55.1n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50041086
PNG
(CHEMBL3355430)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1
Show InChI InChI=1S/C30H26Cl2FN3O4/c31-17-9-12-20-22(15-17)35-28(40)30(20)23(19-5-4-6-21(32)24(19)33)25(36-29(30)13-2-1-3-14-29)26(37)34-18-10-7-16(8-11-18)27(38)39/h4-12,15,23,25,36H,1-3,13-14H2,(H,34,37)(H,35,40)(H,38,39)/t23-,25+,30+/m0/s1
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PubMed
0.160n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


J Med Chem 57: 10486-98 (2014)


Article DOI: 10.1021/jm501541j
BindingDB Entry DOI: 10.7270/Q2HH6MQK
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192225
PNG
(US9187441, 7P)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cc(F)cc(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H21ClF3N3O4/c1-23(2,3)29-21(32)20(30(10-31)9-11-6-13(25)8-15(26)18(11)27)17-14-5-4-12(24)7-16(14)28-19(17)22(33)34/h4-8,10,20,28H,9H2,1-3H3,(H,29,32)(H,33,34)
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0.170 -54.8n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192217
PNG
(US9187441, 7G)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cccc(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H22ClF2N3O4/c1-23(2,3)28-21(31)20(29(11-30)10-12-5-4-6-15(25)18(12)26)17-14-8-7-13(24)9-16(14)27-19(17)22(32)33/h4-9,11,20,27H,10H2,1-3H3,(H,28,31)(H,32,33)
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0.200 -54.4n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192155
PNG
(US9187441, 7E)
Show SMILES CCOC(=O)c1c(C(N(Cc2ccccc2)C(C)=O)C(=O)NC2CCCCC2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C33H40ClN3O6/c1-6-42-31(40)29-27(25-18-17-23(34)19-26(25)37(29)32(41)43-33(3,4)5)28(30(39)35-24-15-11-8-12-16-24)36(21(2)38)20-22-13-9-7-10-14-22/h7,9-10,13-14,17-19,24,28H,6,8,11-12,15-16,20H2,1-5H3,(H,35,39)
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0.25 -53.9n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192161
PNG
(US9187441, 7I)
Show SMILES CCOC(=O)c1c(C(N(Cc2ccccc2)C=O)C(=O)NC2CCCCC2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C32H38ClN3O6/c1-5-41-30(39)28-26(24-17-16-22(33)18-25(24)36(28)31(40)42-32(2,3)4)27(29(38)34-23-14-10-7-11-15-23)35(20-37)19-21-12-8-6-9-13-21/h6,8-9,12-13,16-18,20,23,27H,5,7,10-11,14-15,19H2,1-4H3,(H,34,38)
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0.300 -53.4n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192204
PNG
(US9187441, 6M)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1cc(F)c(F)c(F)c1)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H25ClF3N3O4/c1-5-36-24(35)21-19(15-7-6-14(26)10-18(15)30-21)22(23(34)31-25(2,3)4)32(12-33)11-13-8-16(27)20(29)17(28)9-13/h6-10,12,22,30H,5,11H2,1-4H3,(H,31,34)
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0.400 -52.7n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50436682
PNG
(CHEMBL2396674)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@](C)(O)C1
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21-,23+,27+,28+/m0/s1
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0.440n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192213
PNG
(US9187441, 7B)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(F)cc1)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H23ClFN3O4/c1-23(2,3)27-21(30)20(28(12-29)11-13-4-7-15(25)8-5-13)18-16-9-6-14(24)10-17(16)26-19(18)22(31)32/h4-10,12,20,26H,11H2,1-3H3,(H,27,30)(H,31,32)
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0.450 -52.5n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192196
PNG
(US9187441, 6E)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccc(F)c(F)c1)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H26ClF2N3O4/c1-5-35-24(34)21-20(16-8-7-15(26)11-19(16)29-21)22(23(33)30-25(2,3)4)31(13-32)12-14-6-9-17(27)18(28)10-14/h6-11,13,22,29H,5,12H2,1-4H3,(H,30,33)
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0.5 -52.2n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50300114
PNG
((2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophe...)
Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCC[C@H](O)CO
Show InChI InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-20-27(17-8-7-14(28)11-19(17)32-25(27)37)21(16-5-4-6-18(29)22(16)30)23(33-20)24(36)31-10-9-15(35)13-34/h4-8,11,15,20-21,23,33-35H,9-10,12-13H2,1-3H3,(H,31,36)(H,32,37)/t15-,20+,21-,23+,27-/m0/s1
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0.600n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


J Med Chem 52: 7970-3 (2009)


Article DOI: 10.1021/jm901400z
BindingDB Entry DOI: 10.7270/Q2N29X17
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50436688
PNG
(CHEMBL2398473)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@H](O)C1
Show InChI InChI=1S/C27H30Cl2FN3O3/c1-26(2,3)12-20-27(17-8-7-13(28)9-19(17)32-25(27)36)21(16-5-4-6-18(29)22(16)30)23(33-20)24(35)31-14-10-15(34)11-14/h4-9,14-15,20-21,23,33-34H,10-12H2,1-3H3,(H,31,35)(H,32,36)/t14-,15-,20-,21-,23+,27+/m0/s1
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0.610n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50436681
PNG
(CHEMBL2398479)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@@H](C1)NS(C)(=O)=O
Show InChI InChI=1S/C28H33Cl2FN4O4S/c1-27(2,3)13-21-28(18-9-8-14(29)10-20(18)33-26(28)37)22(17-6-5-7-19(30)23(17)31)24(34-21)25(36)32-15-11-16(12-15)35-40(4,38)39/h5-10,15-16,21-22,24,34-35H,11-13H2,1-4H3,(H,32,36)(H,33,37)/t15-,16-,21-,22-,24+,28+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50436685
PNG
(CHEMBL2398476)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)C1
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-27(2,3)13-21-28(18-10-7-14(29)11-20(18)33-26(28)37)22(17-5-4-6-19(30)23(17)31)24(34-21)25(36)32-15-8-9-16(35)12-15/h4-7,10-11,15-16,21-22,24,34-35H,8-9,12-13H2,1-3H3,(H,32,36)(H,33,37)/t15-,16-,21-,22-,24+,28+/m0/s1
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0.620n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192228
PNG
(US9187441, 7S)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cc(F)c(F)c(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H20ClF4N3O4/c1-23(2,3)30-21(33)20(15-12-5-4-11(24)7-14(12)29-19(15)22(34)35)31(9-32)8-10-6-13(25)17(27)18(28)16(10)26/h4-7,9,20,29H,8H2,1-3H3,(H,30,33)(H,34,35)
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0.700 -51.4n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50300115
PNG
((2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophe...)
Show SMILES COCCOCCNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C28H34Cl2FN3O4/c1-27(2,3)15-21-28(18-9-8-16(29)14-20(18)33-26(28)36)22(17-6-5-7-19(30)23(17)31)24(34-21)25(35)32-10-11-38-13-12-37-4/h5-9,14,21-22,24,34H,10-13,15H2,1-4H3,(H,32,35)(H,33,36)/t21-,22+,24-,28+/m1/s1
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0.800n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


J Med Chem 52: 7970-3 (2009)


Article DOI: 10.1021/jm901400z
BindingDB Entry DOI: 10.7270/Q2N29X17
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192151
PNG
(US9187441, 7C)
Show SMILES CCOC(=O)c1c(C(N(CC(C)C)C(C)=O)C(=O)NCc2ccccc2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C31H38ClN3O6/c1-8-40-29(38)27-25(23-15-14-22(32)16-24(23)35(27)30(39)41-31(5,6)7)26(34(20(4)36)18-19(2)3)28(37)33-17-21-12-10-9-11-13-21/h9-16,19,26H,8,17-18H2,1-7H3,(H,33,37)
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0.810 -51.0n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50436689
PNG
(CHEMBL2398472)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCC[C@H](O)CO
Show InChI InChI=1S/C27H32Cl2FN3O4/c1-26(2,3)12-20-27(17-8-7-14(28)11-19(17)32-25(27)37)21(16-5-4-6-18(29)22(16)30)23(33-20)24(36)31-10-9-15(35)13-34/h4-8,11,15,20-21,23,33-35H,9-10,12-13H2,1-3H3,(H,31,36)(H,32,37)/t15-,20-,21-,23+,27+/m0/s1
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0.860n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50433561
PNG
(CHEMBL2381408)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C29H34Cl2FN3O3/c1-28(2,3)14-22-29(19-12-7-15(30)13-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-16-8-10-17(36)11-9-16/h4-7,12-13,16-17,22-23,25,35-36H,8-11,14H2,1-3H3,(H,33,37)(H,34,38)/t16-,17-,22-,23-,25+,29+/m0/s1
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0.880n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (unknown origin)


J Med Chem 58: 1038-52 (2015)


Article DOI: 10.1021/jm501092z
BindingDB Entry DOI: 10.7270/Q21G0NZ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50436686
PNG
(CHEMBL2398475)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1CC[C@@H](O)C1
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-27(2,3)13-21-28(18-10-7-14(29)11-20(18)33-26(28)37)22(17-5-4-6-19(30)23(17)31)24(34-21)25(36)32-15-8-9-16(35)12-15/h4-7,10-11,15-16,21-22,24,34-35H,8-9,12-13H2,1-3H3,(H,32,36)(H,33,37)/t15-,16+,21-,22-,24+,28+/m0/s1
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0.940n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50436683
PNG
(CHEMBL2398478)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@](C)(O)C1
Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21-,23+,27-,28+/m0/s1
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0.970n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM112737
PNG
(US8629141, 4)
Show SMILES O[C@H]1CCC(CC1)NC(=O)[C@@H]1NC2(CCCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C30H34Cl2FN3O3/c31-17-8-13-21-23(16-17)35-28(39)30(21)24(20-6-5-7-22(32)25(20)33)26(36-29(30)14-3-1-2-4-15-29)27(38)34-18-9-11-19(37)12-10-18/h5-8,13,16,18-19,24,26,36-37H,1-4,9-12,14-15H2,(H,34,38)(H,35,39)/t18?,19-,24-,26+,30+/m0/s1
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1n/a 15.6n/an/an/an/an/an/a



The Regents of the University of Michigan; Sanofi

US Patent


Assay Description
The binding affinity of the MDM2 inhibitors disclosed herein was determined using a fluorescence polarization-based (FP-based) binding assay using a ...


US Patent US8629141 (2014)


BindingDB Entry DOI: 10.7270/Q2W094KC
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50436687
PNG
(CHEMBL2398474)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@@H]1C[C@H](O)C1
Show InChI InChI=1S/C27H30Cl2FN3O3/c1-26(2,3)12-20-27(17-8-7-13(28)9-19(17)32-25(27)36)21(16-5-4-6-18(29)22(16)30)23(33-20)24(35)31-14-10-15(34)11-14/h4-9,14-15,20-21,23,33-34H,10-12H2,1-3H3,(H,31,35)(H,32,36)/t14-,15+,20-,21-,23+,27+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192194
PNG
(US9187441, 6C)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1cccc(F)c1)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H27ClFN3O4/c1-5-34-24(33)21-20(18-10-9-16(26)12-19(18)28-21)22(23(32)29-25(2,3)4)30(14-31)13-15-7-6-8-17(27)11-15/h6-12,14,22,28H,5,13H2,1-4H3,(H,29,32)
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1.30 -49.9n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM162123
PNG
(US9051279, 106)
Show SMILES COc1cc2CC(=O)N([C@@H](c3ccc(Cl)cc3)c2cc1OC(C)C)c1ccc(cc1)N(C)C[C@H]1CC[C@@H](CC1)N1CCN(C)C(=O)C1
Show InChI InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26-,31-,38-/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of human MDM2 by TR-FRET assay


J Med Chem 58: 6348-58 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00810
BindingDB Entry DOI: 10.7270/Q2HQ41QV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50300116
PNG
((2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophe...)
Show SMILES CN1CCN(CCNC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)CC1
Show InChI InChI=1S/C30H38Cl2FN5O2/c1-29(2,3)17-23-30(20-9-8-18(31)16-22(20)35-28(30)40)24(19-6-5-7-21(32)25(19)33)26(36-23)27(39)34-10-11-38-14-12-37(4)13-15-38/h5-9,16,23-24,26,36H,10-15,17H2,1-4H3,(H,34,39)(H,35,40)/t23-,24+,26-,30+/m1/s1
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1.5n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


J Med Chem 52: 7970-3 (2009)


Article DOI: 10.1021/jm901400z
BindingDB Entry DOI: 10.7270/Q2N29X17
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192241
PNG
(US9187441, 6A)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccccc1)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H28ClN3O4/c1-5-33-24(32)21-20(18-12-11-17(26)13-19(18)27-21)22(23(31)28-25(2,3)4)29(15-30)14-16-9-7-6-8-10-16/h6-13,15,22,27H,5,14H2,1-4H3,(H,28,31)
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1.5 -49.5n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM112748
PNG
(US8629141, 15)
Show SMILES Fc1c(Cl)cccc1[C@H]1[C@@H](NC2(CCCCC2)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C29H33Cl2FN4O3/c30-18-7-8-20-22(17-18)34-27(38)29(20)23(19-5-4-6-21(31)24(19)32)25(35-28(29)9-2-1-3-10-28)26(37)33-11-12-36-13-15-39-16-14-36/h4-8,17,23,25,35H,1-3,9-16H2,(H,33,37)(H,34,38)/t23-,25+,29+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


J Med Chem 57: 10486-98 (2014)


Article DOI: 10.1021/jm501541j
BindingDB Entry DOI: 10.7270/Q2HH6MQK
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31202
PNG
(JMC493432 Compound 8 | MI-63)
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+/m1/s1
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1.70n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


J Med Chem 52: 7970-3 (2009)


Article DOI: 10.1021/jm901400z
BindingDB Entry DOI: 10.7270/Q2N29X17
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50041085
PNG
(CHEMBL3355429)
Show SMILES C[C@@]1(O)C[C@@H](C1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C28H30Cl2FN3O3/c1-26(37)13-16(14-26)32-24(35)23-21(17-6-5-7-19(30)22(17)31)28(27(34-23)10-3-2-4-11-27)18-9-8-15(29)12-20(18)33-25(28)36/h5-9,12,16,21,23,34,37H,2-4,10-11,13-14H2,1H3,(H,32,35)(H,33,36)/t16-,21-,23+,26+,28+/m0/s1
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1.70n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


J Med Chem 57: 10486-98 (2014)


Article DOI: 10.1021/jm501541j
BindingDB Entry DOI: 10.7270/Q2HH6MQK
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192153
PNG
(US9187441, 7D)
Show SMILES CCOC(=O)c1c(C(N(Cc2ccccc2)C(C)=O)C(=O)NCc2ccccc2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H36ClN3O6/c1-6-43-32(41)30-28(26-18-17-25(35)19-27(26)38(30)33(42)44-34(3,4)5)29(31(40)36-20-23-13-9-7-10-14-23)37(22(2)39)21-24-15-11-8-12-16-24/h7-19,29H,6,20-21H2,1-5H3,(H,36,40)
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1.70 -49.2n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192148
PNG
(US9187441, 7A)
Show SMILES CC(C)CN(C(C(=O)NCc1ccccc1)c1cn(C(=O)OC(C)(C)C)c2ccccc12)C(C)=O
Show InChI InChI=1S/C28H35N3O4/c1-19(2)17-30(20(3)32)25(26(33)29-16-21-12-8-7-9-13-21)23-18-31(27(34)35-28(4,5)6)24-15-11-10-14-22(23)24/h7-15,18-19,25H,16-17H2,1-6H3,(H,29,33)
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1.80 -49.1n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192229
PNG
(US9187441, 7T)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1c(F)c(F)c(F)c(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H19ClF5N3O4/c1-23(2,3)31-21(34)20(13-10-5-4-9(24)6-12(10)30-19(13)22(35)36)32(8-33)7-11-14(25)16(27)18(29)17(28)15(11)26/h4-6,8,20,30H,7H2,1-3H3,(H,31,34)(H,35,36)
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1.80 -49.1n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50300118
PNG
((2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophe...)
Show SMILES CN1CCC(CCNC(=O)[C@@H]2N[C@H](CC(C)(C)C)[C@@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)CC1
Show InChI InChI=1S/C31H39Cl2FN4O2/c1-30(2,3)17-24-31(21-9-8-19(32)16-23(21)36-29(31)40)25(20-6-5-7-22(33)26(20)34)27(37-24)28(39)35-13-10-18-11-14-38(4)15-12-18/h5-9,16,18,24-25,27,37H,10-15,17H2,1-4H3,(H,35,39)(H,36,40)/t24-,25+,27-,31+/m1/s1
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2n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of his-tagged human recombinant MDM2 binding to p53-based peptide PMDM6-F by fluorescence polarization assay


J Med Chem 52: 7970-3 (2009)


Article DOI: 10.1021/jm901400z
BindingDB Entry DOI: 10.7270/Q2N29X17
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192202
PNG
(US9187441, 6K)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccc(F)c(F)c1F)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H25ClF3N3O4/c1-5-36-24(35)21-18(15-8-7-14(26)10-17(15)30-21)22(23(34)31-25(2,3)4)32(12-33)11-13-6-9-16(27)20(29)19(13)28/h6-10,12,22,30H,5,11H2,1-4H3,(H,31,34)
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2.10 -48.7n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192193
PNG
(US9187441, 6B)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccc(F)cc1)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H27ClFN3O4/c1-5-34-24(33)21-20(18-11-8-16(26)12-19(18)28-21)22(23(32)29-25(2,3)4)30(14-31)13-15-6-9-17(27)10-7-15/h6-12,14,22,28H,5,13H2,1-4H3,(H,29,32)
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2.20 -48.6n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192222
PNG
(US9187441, 7L)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1cc(F)c(F)cc1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H21ClF3N3O4/c1-23(2,3)29-21(32)20(30(10-31)9-11-6-15(26)16(27)8-14(11)25)18-13-5-4-12(24)7-17(13)28-19(18)22(33)34/h4-8,10,20,28H,9H2,1-3H3,(H,29,32)(H,33,34)
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2.30 -48.5n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192216
PNG
(US9187441, 7F)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1ccc(F)cc1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H22ClF2N3O4/c1-23(2,3)28-21(31)20(29(11-30)10-12-4-6-14(25)9-16(12)26)18-15-7-5-13(24)8-17(15)27-19(18)22(32)33/h4-9,11,20,27H,10H2,1-3H3,(H,28,31)(H,32,33)
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2.30 -48.5n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50436684
PNG
(CHEMBL2398477)
Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C27H32Cl2FN3O3/c1-25(2,3)12-19-27(16-10-9-14(28)11-18(16)32-24(27)35)20(15-7-6-8-17(29)21(15)30)22(33-19)23(34)31-13-26(4,5)36/h6-11,19-20,22,33,36H,12-13H2,1-5H3,(H,31,34)(H,32,35)/t19-,20-,22+,27+/m0/s1
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2.40n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay


J Med Chem 56: 5553-61 (2014)


Article DOI: 10.1021/jm4005708
BindingDB Entry DOI: 10.7270/Q2SJ1N2D
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192200
PNG
(US9187441, 6I)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1cc(F)cc(F)c1)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H26ClF2N3O4/c1-5-35-24(34)21-20(18-7-6-15(26)10-19(18)29-21)22(23(33)30-25(2,3)4)31(13-32)12-14-8-16(27)11-17(28)9-14/h6-11,13,22,29H,5,12H2,1-4H3,(H,30,33)
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2.40 -48.4n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192207
PNG
(US9187441, 6P)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1cc(F)cc(F)c1F)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H25ClF3N3O4/c1-5-36-24(35)21-19(16-7-6-14(26)9-18(16)30-21)22(23(34)31-25(2,3)4)32(12-33)11-13-8-15(27)10-17(28)20(13)29/h6-10,12,22,30H,5,11H2,1-4H3,(H,31,34)
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2.5 -48.3n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192159
PNG
(US9187441, 7H)
Show SMILES CCCC(=O)N(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1c(C(=O)OCC)n(C(=O)OC(C)(C)C)c2cc(Cl)ccc12
Show InChI InChI=1S/C35H44ClN3O6/c1-6-14-28(40)38(22-23-15-10-8-11-16-23)30(32(41)37-25-17-12-9-13-18-25)29-26-20-19-24(36)21-27(26)39(31(29)33(42)44-7-2)34(43)45-35(3,4)5/h8,10-11,15-16,19-21,25,30H,6-7,9,12-14,17-18,22H2,1-5H3,(H,37,41)
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2.5 -48.3n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50041075
PNG
(CHEMBL3355417)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1NC2(CCCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C30H34Cl2FN3O3/c31-17-8-13-21-23(16-17)35-28(39)30(21)24(20-6-5-7-22(32)25(20)33)26(36-29(30)14-3-1-2-4-15-29)27(38)34-18-9-11-19(37)12-10-18/h5-8,13,16,18-19,24,26,36-37H,1-4,9-12,14-15H2,(H,34,38)(H,35,39)/t18-,19-,24-,26+,30+/m0/s1
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2.80n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


J Med Chem 57: 10486-98 (2014)


Article DOI: 10.1021/jm501541j
BindingDB Entry DOI: 10.7270/Q2HH6MQK
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50041074
PNG
(CHEMBL3355416)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C29H32Cl2FN3O3/c30-16-7-12-20-22(15-16)34-27(38)29(20)23(19-5-4-6-21(31)24(19)32)25(35-28(29)13-2-1-3-14-28)26(37)33-17-8-10-18(36)11-9-17/h4-7,12,15,17-18,23,25,35-36H,1-3,8-11,13-14H2,(H,33,37)(H,34,38)/t17-,18-,23-,25+,29+/m0/s1
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2.90n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


J Med Chem 57: 10486-98 (2014)


Article DOI: 10.1021/jm501541j
BindingDB Entry DOI: 10.7270/Q2HH6MQK
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31202
PNG
(JMC493432 Compound 8 | MI-63)
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+/m1/s1
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3 -48.3n/an/an/an/an/a7.523



University of Michigan



Assay Description
The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...


J Med Chem 49: 3432-5 (2006)


Article DOI: 10.1021/jm051122a
BindingDB Entry DOI: 10.7270/Q24F1P3B
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192195
PNG
(US9187441, 6D)
Show SMILES CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(N(Cc1ccccc1F)C=O)C(=O)NC(C)(C)C
Show InChI InChI=1S/C25H27ClFN3O4/c1-5-34-24(33)21-20(17-11-10-16(26)12-19(17)28-21)22(23(32)29-25(2,3)4)30(14-31)13-15-8-6-7-9-18(15)27/h6-12,14,22,28H,5,13H2,1-4H3,(H,29,32)
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3 -47.8n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50436050
PNG
(CHEMBL1234332)
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-/m1/s1
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3n/an/an/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Binding affinity to MDM2 (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mins by fluorescence polarization assay in presence of P4 ...


Bioorg Med Chem 21: 3982-95 (2013)


Article DOI: 10.1016/j.bmc.2012.06.020
BindingDB Entry DOI: 10.7270/Q2QV3NWD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM50041081
PNG
(CHEMBL3355425)
Show SMILES OC[C@@H](O)CCNC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C27H30Cl2FN3O4/c28-15-7-8-18-20(13-15)32-25(37)27(18)21(17-5-4-6-19(29)22(17)30)23(24(36)31-12-9-16(35)14-34)33-26(27)10-2-1-3-11-26/h4-8,13,16,21,23,33-35H,1-3,9-12,14H2,(H,31,36)(H,32,37)/t16-,21-,23+,27+/m0/s1
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3n/an/an/an/an/an/an/an/a



University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding ...


J Med Chem 57: 10486-98 (2014)


Article DOI: 10.1021/jm501541j
BindingDB Entry DOI: 10.7270/Q2HH6MQK
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM192226
PNG
(US9187441, 7Q)
Show SMILES CC(C)(C)NC(=O)C(N(Cc1c(F)c(F)cc(F)c1F)C=O)c1c([nH]c2cc(Cl)ccc12)C(O)=O
Show InChI InChI=1S/C23H20ClF4N3O4/c1-23(2,3)30-21(33)20(16-11-5-4-10(24)6-15(11)29-19(16)22(34)35)31(9-32)8-12-17(27)13(25)7-14(26)18(12)28/h4-7,9,20,29H,8H2,1-3H3,(H,30,33)(H,34,35)
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3 -47.8n/an/an/an/an/an/a20



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Fluorescent polarization experiments were performed as follows. Briefly, the fluorescence polarization experiments were read on an Ultra Evolution 38...


US Patent US9187441 (2015)


BindingDB Entry DOI: 10.7270/Q2DR2T9N
More data for this
Ligand-Target Pair
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