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Compile Data Set for Download or QSAR

Found 12 hits of Enz. Inhib. data with enzyme = 'E3 ubiquitin-protein ligase Mdm2' and Substrate = 'PMDM6-F Peptide'   
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))
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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Article
PubMed
3 -11.5n/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))
BDBM31198
PNG
(spiro-oxindole, 4)
Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C29H36Cl2N4O3/c1-28(2,3)17-23-29(21-8-7-20(31)16-22(21)33-27(29)37)24(18-5-4-6-19(30)15-18)25(34-23)26(36)32-9-10-35-11-13-38-14-12-35/h4-8,15-16,23-25,34H,9-14,17H2,1-3H3,(H,32,36)(H,33,37)/t23-,24+,25-,29+/m1/s1
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Article
PubMed
13 -10.7n/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))
BDBM31197
PNG
(CHEMBL211045 | Nutlin-3)
Show SMILES COc1ccc(C2=NC(C(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)
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Article
PubMed
36 -10.1n/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: 3759-62 (2006)


Article DOI: 10.1021/jm060023+
BindingDB Entry DOI: 10.7270/Q20P0XCM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31197
PNG
(CHEMBL211045 | Nutlin-3)
Show SMILES COc1ccc(C2=NC(C(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)
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Article
PubMed
36 -10.1n/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
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31199
PNG
(spiro-oxindole, 5)
Show SMILES CN(C)C(=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/C25H28Cl2FN3O2/c1-24(2,3)12-18-25(15-10-9-13(26)11-17(15)29-23(25)33)19(21(30-18)22(32)31(4)5)14-7-6-8-16(27)20(14)28/h6-11,18-19,21,30H,12H2,1-5H3,(H,29,33)/t18-,19+,21-,25+/m1/s1
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Article
PubMed
38 -10.0n/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))
BDBM31204
PNG
(spiro-oxindole, 10)
Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCCCC1
Show InChI InChI=1S/C30H37Cl2FN4O2/c1-29(2,3)17-23-30(20-11-10-18(31)16-22(20)35-28(30)39)24(19-8-7-9-21(32)25(19)33)26(36-23)27(38)34-12-15-37-13-5-4-6-14-37/h7-11,16,23-24,26,36H,4-6,12-15,17H2,1-3H3,(H,34,38)(H,35,39)/t23-,24+,26-,30+/m1/s1
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Article
PubMed
39 -10.0n/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))
BDBM31201
PNG
(spiro-oxindole, 7)
Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cc(F)cc(Cl)c1)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C25H28Cl2FN3O2/c1-24(2,3)12-19-25(17-7-6-14(26)11-18(17)29-23(25)33)20(21(30-19)22(32)31(4)5)13-8-15(27)10-16(28)9-13/h6-11,19-21,30H,12H2,1-5H3,(H,29,33)/t19-,20+,21-,25+/m1/s1
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Article
PubMed
44 -9.96n/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))
BDBM31196
PNG
(spiro-oxindole, 1)
Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C25H29Cl2N3O2/c1-24(2,3)13-19-25(17-10-9-16(27)12-18(17)28-23(25)32)20(14-7-6-8-15(26)11-14)21(29-19)22(31)30(4)5/h6-12,19-21,29H,13H2,1-5H3,(H,28,32)/t19-,20+,21-,25+/m1/s1
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PubMed
86 -9.57n/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))
BDBM31196
PNG
(spiro-oxindole, 1)
Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C25H29Cl2N3O2/c1-24(2,3)13-19-25(17-10-9-16(27)12-18(17)28-23(25)32)20(14-7-6-8-15(26)11-14)21(29-19)22(31)30(4)5/h6-12,19-21,29H,13H2,1-5H3,(H,28,32)/t19-,20+,21-,25+/m1/s1
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PubMed
86 -9.57n/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: 3759-62 (2006)


Article DOI: 10.1021/jm060023+
BindingDB Entry DOI: 10.7270/Q20P0XCM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31206
PNG
(NSC 66811)
Show SMILES Cc1ccc2ccc(C(Nc3ccccc3)c3ccccc3)c(O)c2n1
Show InChI InChI=1S/C23H20N2O/c1-16-12-13-18-14-15-20(23(26)22(18)24-16)21(17-8-4-2-5-9-17)25-19-10-6-3-7-11-19/h2-15,21,25-26H,1H3
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PubMed
120 -9.37n/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: 3759-62 (2006)


Article DOI: 10.1021/jm060023+
BindingDB Entry DOI: 10.7270/Q20P0XCM
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31200
PNG
(spiro-oxindole, 6)
Show SMILES CN(C)C(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@@]2([C@H]1c1ccc(F)c(Cl)c1)C(=O)Nc1cc(Cl)ccc21
Show InChI InChI=1S/C25H28Cl2FN3O2/c1-24(2,3)12-19-25(15-8-7-14(26)11-18(15)29-23(25)33)20(21(30-19)22(32)31(4)5)13-6-9-17(28)16(27)10-13/h6-11,19-21,30H,12H2,1-5H3,(H,29,33)/t19-,20+,21-,25+/m1/s1
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PubMed
170 -9.17n/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))
BDBM31203
PNG
(spiro-oxindole, 9)
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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PubMed
4.00E+3 -7.31n/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