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Compile Data Set for Download or QSAR

Found 343 hits of ki data for polymerid = 3720   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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=1/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 -13.3n/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...


Citation and Details
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=1/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 -13.2n/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...


Citation and Details
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=1/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+/s2
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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)

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=1/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 -13.1n/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...


Citation and Details
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=1/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 -13.0n/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...


Citation and Details
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=1/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 -12.9n/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...


Citation and Details
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=1/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 -12.8n/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...


Citation and Details
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=1/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 -12.6n/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...


Citation and Details
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)

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=1/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 -12.5n/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...


Citation and Details
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=1/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 -12.5n/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...


Citation and Details
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)

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)

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)

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)

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=1/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 -12.3n/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...


Citation and Details
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)

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=1/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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US Patent
0.810 -12.2n/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...


Citation and Details
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)

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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


TBA



Citation and Details
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)

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)

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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US Patent
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 ...


Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM112757
PNG
(US8629141, 27)
Show SMILES OC(=O)CCCNC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C27H28Cl2FN3O4/c28-15-9-10-17-19(14-15)32-25(37)27(17)21(16-6-4-7-18(29)22(16)30)23(24(36)31-13-5-8-20(34)35)33-26(27)11-2-1-3-12-26/h4,6-7,9-10,14,21,23,33H,1-3,5,8,11-13H2,(H,31,36)(H,32,37)(H,34,35)/t21-,23+,27+/m0/s1
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<1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM112761
PNG
(US8629141, 31)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1NC2(CCCCC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21)C(O)=O
Show InChI InChI=1S/C31H28Cl2FN3O5/c1-42-23-14-16(28(39)40)8-11-21(23)35-27(38)26-24(18-6-5-7-20(33)25(18)34)31(30(37-26)12-3-2-4-13-30)19-10-9-17(32)15-22(19)36-29(31)41/h5-11,14-15,24,26,37H,2-4,12-13H2,1H3,(H,35,38)(H,36,41)(H,39,40)/t24-,26+,31+/m0/s1
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<1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM112759
PNG
(US8629141, 29)
Show SMILES OC(=O)c1ccc(CNC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cc1
Show InChI InChI=1S/C31H28Cl2FN3O4/c32-19-11-12-21-23(15-19)36-29(41)31(21)24(20-5-4-6-22(33)25(20)34)26(37-30(31)13-2-1-3-14-30)27(38)35-16-17-7-9-18(10-8-17)28(39)40/h4-12,15,24,26,37H,1-3,13-14,16H2,(H,35,38)(H,36,41)(H,39,40)/t24-,26+,31+/m0/s1
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<1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM50236827
PNG
(CHEMBL4066694)
PDB
MMDB

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<1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM112773
PNG
(US8629141, 43)
Show SMILES OC(=O)c1cccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)c1
Show InChI InChI=1S/C30H26Cl2FN3O4/c31-17-10-11-20-22(15-17)35-28(40)30(20)23(19-8-5-9-21(32)24(19)33)25(36-29(30)12-2-1-3-13-29)26(37)34-18-7-4-6-16(14-18)27(38)39/h4-11,14-15,23,25,36H,1-3,12-13H2,(H,34,37)(H,35,40)(H,38,39)/t23-,25+,30+/m0/s1
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<1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237763
PNG
(CHEMBL4084366)
PDB
MMDB

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<1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237745
PNG
(CHEMBL4064790)
PDB
MMDB

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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237766
PNG
(CHEMBL4085815)
PDB
MMDB

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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2


Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237744
PNG
(CHEMBL4072857)
PDB
MMDB

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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237764
PNG
(CHEMBL4060006)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237734
PNG
(CHEMBL4098834)
PDB
MMDB

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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-3-beta-3-gamma-2


Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237739
PNG
(CHEMBL4091801)
PDB
MMDB

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<1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237759
PNG
(CHEMBL4064410)
PDB
MMDB

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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237768
PNG
(CHEMBL4063804)
PDB
MMDB

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1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237747
PNG
(CHEMBL4083298)
PDB
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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Evaluated for accumulation of cAMP in transfected HEK293 cells expressing human vasopressin V2 receptor


Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237765
PNG
(CHEMBL4077687)
PDB
MMDB

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<1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM112766
PNG
(US8629141, 36)
Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@]3([C@H]2c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc32)cn1
Show InChI InChI=1S/C29H25Cl2FN4O4/c30-15-7-9-18-21(13-15)35-27(40)29(18)22(17-5-4-6-19(31)23(17)32)24(36-28(29)11-2-1-3-12-28)25(37)34-16-8-10-20(26(38)39)33-14-16/h4-10,13-14,22,24,36H,1-3,11-12H2,(H,34,37)(H,35,40)(H,38,39)/t22-,24+,29+/m0/s1
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1n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237738
PNG
(CHEMBL4064867)
PDB
MMDB

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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


Citation and Details
More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237750
PNG
(CHEMBL4093562)
PDB
MMDB

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<1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


Citation and Details
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)

More data for this
Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237752
PNG
(CHEMBL4095706)
PDB
MMDB

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1.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity measured by inhibition of 3[H] AVP binding to cloned human vasopressin V1a receptor


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Ligand-Target Pair
MDM2-MDMX


(Homo sapiens (Human))
BDBM50237741
PNG
(CHEMBL4071840)
PDB
MMDB

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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits


Citation and Details
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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=1/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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US Patent
1.30 -11.9n/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...


Citation and Details
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=1/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-/s2
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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


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Ligand-Target Pair
3D
3D Structure (crystal)
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=1/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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US Patent
1.5 -11.8n/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...


Citation and Details
More data for this
Ligand-Target Pair
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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Article
PubMed
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)

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Ligand-Target Pair
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