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PubMed code 17034127

Compile data set for download or QSAR
Found 45 hits of Enzyme Inhibition Constant Data   
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))
BDBM31270
PNG
(CHEMBL360141 | isoindolinone scaffold, 65)
Show SMILES CC(=O)NCCN1C(=O)c2ccccc2C1(OCc1ccc(cc1)C(C)(C)C)c1ccccc1
Show InChI InChI=1S/C29H32N2O3/c1-21(32)30-18-19-31-27(33)25-12-8-9-13-26(25)29(31,24-10-6-5-7-11-24)34-20-22-14-16-23(17-15-22)28(2,3)4/h5-17H,18-20H2,1-4H3,(H,30,32)
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PubMed
n/an/a 1.44E+4n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31251
PNG
(CHEMBL178106 | isoindolinone scaffold, 40)
Show SMILES COc1cc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)cc(OC)c1O
Show InChI InChI=1S/C30H27NO5/c1-34-26-17-22(18-27(35-2)28(26)32)20-36-30(23-13-7-4-8-14-23)25-16-10-9-15-24(25)29(33)31(30)19-21-11-5-3-6-12-21/h3-18,32H,19-20H2,1-2H3
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PubMed
n/an/a 1.79E+4n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31230
PNG
(CHEMBL179549 | isoindolinone scaffold, 16)
Show SMILES CCCN1C(=O)c2ccccc2C1(NC(=O)c1ccc(cc1)C(C)(C)C)c1ccc(OCOCC[Si](C)(C)C)cc1
Show InChI InChI=1S/C34H44N2O4Si/c1-8-21-36-32(38)29-11-9-10-12-30(29)34(36,35-31(37)25-13-15-26(16-14-25)33(2,3)4)27-17-19-28(20-18-27)40-24-39-22-23-41(5,6)7/h9-20H,8,21-24H2,1-7H3,(H,35,37)
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n/an/a 2.70E+4n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31241
PNG
(isoindolinone scaffold, 30)
Show SMILES Oc1cccc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)c1
Show InChI InChI=1S/C28H23NO3/c30-24-15-9-12-22(18-24)20-32-28(23-13-5-2-6-14-23)26-17-8-7-16-25(26)27(31)29(28)19-21-10-3-1-4-11-21/h1-18,30H,19-20H2
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PubMed
n/an/a 5.80E+4n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31268
PNG
(isoindolinone scaffold, 63)
Show SMILES CCCN1C(=O)c2ccccc2C1(OCc1[nH]cnc1C)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H31N3O2/c1-6-15-29-24(30)21-9-7-8-10-22(21)26(29,31-16-23-18(2)27-17-28-23)20-13-11-19(12-14-20)25(3,4)5/h7-14,17H,6,15-16H2,1-5H3,(H,27,28)
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n/an/a 6.43E+4n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31231
PNG
(CHEMBL360920 | isoindolinone scaffold, 17)
Show SMILES CCCN1C(=O)c2ccccc2C1(NC(=O)c1ccccc1)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H30N2O2/c1-5-19-30-26(32)23-13-9-10-14-24(23)28(30,29-25(31)20-11-7-6-8-12-20)22-17-15-21(16-18-22)27(2,3)4/h6-18H,5,19H2,1-4H3,(H,29,31)
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n/an/a 6.60E+4n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31266
PNG
(isoindolinone scaffold, 61)
Show SMILES CCCN1C(=O)c2ccccc2C1(OCCc1ccc(O)cc1)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C29H33NO3/c1-5-19-30-27(32)25-8-6-7-9-26(25)29(30,23-14-12-22(13-15-23)28(2,3)4)33-20-18-21-10-16-24(31)17-11-21/h6-17,31H,5,18-20H2,1-4H3
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n/an/a 6.97E+4n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31232
PNG
(CHEMBL179114 | isoindolinone scaffold, 18)
Show SMILES COc1ccc(cc1)C(O)CNC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C30H28N2O3/c1-35-25-18-16-23(17-19-25)28(33)20-31-30(24-12-6-3-7-13-24)27-15-9-8-14-26(27)29(34)32(30)21-22-10-4-2-5-11-22/h2-19,28,31,33H,20-21H2,1H3
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n/an/a 7.00E+4n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31262
PNG
(isoindolinone scaffold, 57)
Show SMILES CCCOC1(N(CCCC(OC)OC)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H29NO4/c1-4-17-28-23(18-11-6-5-7-12-18)20-14-9-8-13-19(20)22(25)24(23)16-10-15-21(26-2)27-3/h5-9,11-14,21H,4,10,15-17H2,1-3H3
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n/an/a 7.00E+4n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31264
PNG
(isoindolinone scaffold, 59)
Show SMILES CCCN1C(=O)c2ccccc2C1(OCCNC(=O)c1ccccc1O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C30H34N2O4/c1-5-19-32-28(35)23-10-6-8-12-25(23)30(32,22-16-14-21(15-17-22)29(2,3)4)36-20-18-31-27(34)24-11-7-9-13-26(24)33/h6-17,33H,5,18-20H2,1-4H3,(H,31,34)
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n/an/a 7.01E+4n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31265
PNG
(isoindolinone scaffold, 60)
Show SMILES CCCN1C(=O)c2ccccc2C1(OCc1cc2OCOc2cc1[N+]([O-])=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C29H30N2O6/c1-5-14-30-27(32)22-8-6-7-9-23(22)29(30,21-12-10-20(11-13-21)28(2,3)4)37-17-19-15-25-26(36-18-35-25)16-24(19)31(33)34/h6-13,15-16H,5,14,17-18H2,1-4H3
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n/an/a 7.02E+4n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31267
PNG
(isoindolinone scaffold, 62)
Show SMILES CCCN1C(=O)c2ccccc2C1(OCCN1CCNC1=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H33N3O3/c1-5-15-29-23(30)21-8-6-7-9-22(21)26(29,32-18-17-28-16-14-27-24(28)31)20-12-10-19(11-13-20)25(2,3)4/h6-13H,5,14-18H2,1-4H3,(H,27,31)
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n/an/a 7.43E+4n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31236
PNG
(isoindolinone scaffold, 22)
Show SMILES CCCCc1ncc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)[nH]1
Show InChI InChI=1S/C29H29N3O2/c1-2-3-18-27-30-19-24(31-27)21-34-29(23-14-8-5-9-15-23)26-17-11-10-16-25(26)28(33)32(29)20-22-12-6-4-7-13-22/h4-17,19H,2-3,18,20-21H2,1H3,(H,30,31)
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n/an/a 7.80E+4n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31237
PNG
(isoindolinone scaffold, 24)
Show SMILES Oc1ccc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C28H23NO3/c30-24-17-15-22(16-18-24)20-32-28(23-11-5-2-6-12-23)26-14-8-7-13-25(26)27(31)29(28)19-21-9-3-1-4-10-21/h1-18,30H,19-20H2
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n/an/a 7.90E+4n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31229
PNG
(isoindolinone scaffold, 15)
Show SMILES OC[C@H](NC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C30H28N2O3/c33-21-27(28(34)23-14-6-2-7-15-23)31-30(24-16-8-3-9-17-24)26-19-11-10-18-25(26)29(35)32(30)20-22-12-4-1-5-13-22/h1-19,27-28,31,33-34H,20-21H2/t27-,28-,30?/m0/s1
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n/an/a 8.50E+4n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31258
PNG
(isoindolinone scaffold, 49)
Show SMILES COC(=O)C(Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1(OCCN(CCC#N)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H33N3O5/c1-42-34(41)32(25-26-17-19-29(39)20-18-26)38-33(40)30-15-8-9-16-31(30)35(38,27-11-4-2-5-12-27)43-24-23-37(22-10-21-36)28-13-6-3-7-14-28/h2-9,11-20,32,39H,10,22-25H2,1H3
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n/an/a 8.80E+4n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31228
PNG
(CHEMBL182052 | isoindolinone scaffold, 14)
Show SMILES CCCOC1(N(C(Cc2ccc(O)cc2)C(=O)OC)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-3-17-33-27(20-9-5-4-6-10-20)23-12-8-7-11-22(23)25(30)28(27)24(26(31)32-2)18-19-13-15-21(29)16-14-19/h4-16,24,29H,3,17-18H2,1-2H3
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n/an/a 9.00E+4n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31227
PNG
(CHEMBL181688 | isoindolinone scaffold, 13)
Show SMILES CC(C)(C)c1ccc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C32H31NO2/c1-31(2,3)26-20-18-25(19-21-26)23-35-32(27-14-8-5-9-15-27)29-17-11-10-16-28(29)30(34)33(32)22-24-12-6-4-7-13-24/h4-21H,22-23H2,1-3H3
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n/an/a 9.20E+4n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31246
PNG
(isoindolinone scaffold, 35)
Show SMILES Oc1ccc(C(=O)NCCOC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)c(O)c1
Show InChI InChI=1S/C30H26N2O5/c33-23-15-16-25(27(34)19-23)28(35)31-17-18-37-30(22-11-5-2-6-12-22)26-14-8-7-13-24(26)29(36)32(30)20-21-9-3-1-4-10-21/h1-16,19,33-34H,17-18,20H2,(H,31,35)
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n/an/a 9.60E+4n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31245
PNG
(isoindolinone scaffold, 34)
Show SMILES O=Cc1ccc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)o1
Show InChI InChI=1S/C27H21NO4/c29-18-22-15-16-23(32-22)19-31-27(21-11-5-2-6-12-21)25-14-8-7-13-24(25)26(30)28(27)17-20-9-3-1-4-10-20/h1-16,18H,17,19H2
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n/an/a 9.70E+4n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31271
PNG
(isoindolinone scaffold, 67)
Show SMILES CC(=C)C(=O)OCCN1C(=O)c2ccccc2C1(N[C@@H](CO)[C@@H](O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H30N2O5/c1-20(2)28(35)36-18-17-31-27(34)23-15-9-10-16-24(23)29(31,22-13-7-4-8-14-22)30-25(19-32)26(33)21-11-5-3-6-12-21/h3-16,25-26,30,32-33H,1,17-19H2,2H3/t25-,26-,29?/m0/s1
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n/an/a 1.03E+5n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31269
PNG
(isoindolinone scaffold, 64)
Show SMILES CCCN1C(=O)c2ccccc2C1(OCc1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)c1ccc(OCOCC[Si](C)(C)C)cc1
Show InChI InChI=1S/C31H37N3O8Si/c1-6-15-32-30(35)26-9-7-8-10-27(26)31(32,24-11-13-25(14-12-24)41-21-40-16-17-43(3,4)5)42-20-23-18-28(33(36)37)22(2)29(19-23)34(38)39/h7-14,18-19H,6,15-17,20-21H2,1-5H3
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n/an/a 1.03E+5n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31247
PNG
(isoindolinone scaffold, 36)
Show SMILES O=C1N(Cc2ccccc2)C(OCCNc2ccccc2)(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C29H26N2O2/c32-28-26-18-10-11-19-27(26)29(24-14-6-2-7-15-24,31(28)22-23-12-4-1-5-13-23)33-21-20-30-25-16-8-3-9-17-25/h1-19,30H,20-22H2
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n/an/a 1.16E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31256
PNG
(isoindolinone scaffold, 47)
Show SMILES COc1ccc(cc1)[C@@H](O)COC1(N(Cc2ccco2)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C28H25NO5/c1-32-22-15-13-20(14-16-22)26(30)19-34-28(21-8-3-2-4-9-21)25-12-6-5-11-24(25)27(31)29(28)18-23-10-7-17-33-23/h2-17,26,30H,18-19H2,1H3/t26-,28?/m0/s1
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n/an/a 1.81E+5n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31249
PNG
(isoindolinone scaffold, 38)
Show SMILES CN(CCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1)c1ccc(C=O)cc1
Show InChI InChI=1S/C31H28N2O3/c1-32(27-18-16-25(23-34)17-19-27)20-21-36-31(26-12-6-3-7-13-26)29-15-9-8-14-28(29)30(35)33(31)22-24-10-4-2-5-11-24/h2-19,23H,20-22H2,1H3
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n/an/a 1.91E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31242
PNG
(isoindolinone scaffold, 31)
Show SMILES [O-][N+](=O)c1cc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)ccc1Cl
Show InChI InChI=1S/C28H21ClN2O4/c29-25-16-15-21(17-26(25)31(33)34)19-35-28(22-11-5-2-6-12-22)24-14-8-7-13-23(24)27(32)30(28)18-20-9-3-1-4-10-20/h1-17H,18-19H2
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n/an/a 2.06E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31244
PNG
(isoindolinone scaffold, 33)
Show SMILES CC(C)(C)c1ccc(COC2(N(CCc3cnc[nH]3)C(=O)c3ccccc23)c2ccccc2)cc1
Show InChI InChI=1S/C30H31N3O2/c1-29(2,3)23-15-13-22(14-16-23)20-35-30(24-9-5-4-6-10-24)27-12-8-7-11-26(27)28(34)33(30)18-17-25-19-31-21-32-25/h4-16,19,21H,17-18,20H2,1-3H3,(H,31,32)
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n/an/a 2.14E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31243
PNG
(isoindolinone scaffold, 32)
Show SMILES Oc1ccccc1OCCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C29H25NO4/c31-26-17-9-10-18-27(26)33-19-20-34-29(23-13-5-2-6-14-23)25-16-8-7-15-24(25)28(32)30(29)21-22-11-3-1-4-12-22/h1-18,31H,19-21H2
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n/an/a 2.21E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31250
PNG
(isoindolinone scaffold, 39)
Show SMILES Cc1ccc(c(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)c1)[N+]([O-])=O
Show InChI InChI=1S/C29H24N2O4/c1-21-16-17-27(31(33)34)23(18-21)20-35-29(24-12-6-3-7-13-24)26-15-9-8-14-25(26)28(32)30(29)19-22-10-4-2-5-11-22/h2-18H,19-20H2,1H3
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n/an/a 2.32E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31248
PNG
(isoindolinone scaffold, 37)
Show SMILES Cc1cccc(c1)N(CCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1)CCC#N
Show InChI InChI=1S/C33H31N3O2/c1-26-12-10-17-29(24-26)35(21-11-20-34)22-23-38-33(28-15-6-3-7-16-28)31-19-9-8-18-30(31)32(37)36(33)25-27-13-4-2-5-14-27/h2-10,12-19,24H,11,21-23,25H2,1H3
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n/an/a 2.43E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31259
PNG
(isoindolinone scaffold, 50)
Show SMILES COC(=O)C(Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1(OCCn1c(C)ncc1[N+]([O-])=O)c1ccccc1
Show InChI InChI=1S/C30H28N4O7/c1-20-31-19-27(34(38)39)32(20)16-17-41-30(22-8-4-3-5-9-22)25-11-7-6-10-24(25)28(36)33(30)26(29(37)40-2)18-21-12-14-23(35)15-13-21/h3-15,19,26,35H,16-18H2,1-2H3
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n/an/a 2.75E+5n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31239
PNG
(isoindolinone scaffold, 26)
Show SMILES CC(=O)NCCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H24N2O3/c1-19(28)26-16-17-30-25(21-12-6-3-7-13-21)23-15-9-8-14-22(23)24(29)27(25)18-20-10-4-2-5-11-20/h2-15H,16-18H2,1H3,(H,26,28)
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n/an/a 2.81E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31233
PNG
(isoindolinone scaffold, 19)
Show SMILES [O-][N+](=O)c1cccc(COC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)c1
Show InChI InChI=1S/C28H22N2O4/c31-27-25-16-7-8-17-26(25)28(23-13-5-2-6-14-23,29(27)19-21-10-3-1-4-11-21)34-20-22-12-9-15-24(18-22)30(32)33/h1-18H,19-20H2
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n/an/a 2.84E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31263
PNG
(isoindolinone scaffold, 58)
Show SMILES CCCN1C(=O)c2ccccc2C1(OCCS(C)(=O)=O)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C24H31NO4S/c1-6-15-25-22(26)20-9-7-8-10-21(20)24(25,29-16-17-30(5,27)28)19-13-11-18(12-14-19)23(2,3)4/h7-14H,6,15-17H2,1-5H3
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n/an/a 2.90E+5n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31238
PNG
(isoindolinone scaffold, 25)
Show SMILES COc1ccc(CCOC2(N(Cc3ccccc3)C(=O)c3ccccc23)c2ccccc2)cc1OC
Show InChI InChI=1S/C31H29NO4/c1-34-28-18-17-23(21-29(28)35-2)19-20-36-31(25-13-7-4-8-14-25)27-16-10-9-15-26(27)30(33)32(31)22-24-11-5-3-6-12-24/h3-18,21H,19-20,22H2,1-2H3
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n/an/a 3.11E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31240
PNG
(isoindolinone scaffold, 28)
Show SMILES O=C1N(Cc2ccccc2)C(OCCN2CCNCC2)(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H29N3O2/c31-26-24-13-7-8-14-25(24)27(23-11-5-2-6-12-23,30(26)21-22-9-3-1-4-10-22)32-20-19-29-17-15-28-16-18-29/h1-14,28H,15-21H2
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n/an/a 3.15E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31253
PNG
(isoindolinone scaffold, 43)
Show SMILES COc1ccc(cc1)[C@@H](O)COC1(N(CCCO)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H27NO5/c1-31-21-14-12-19(13-15-21)24(29)18-32-26(20-8-3-2-4-9-20)23-11-6-5-10-22(23)25(30)27(26)16-7-17-28/h2-6,8-15,24,28-29H,7,16-18H2,1H3/t24-,26?/m0/s1
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n/an/a 3.26E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31252
PNG
(isoindolinone scaffold, 41)
Show SMILES [O-]S(=O)(=O)CCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C23H21NO5S/c25-22-20-13-7-8-14-21(20)23(19-11-5-2-6-12-19,29-15-16-30(26,27)28)24(22)17-18-9-3-1-4-10-18/h1-14H,15-17H2,(H,26,27,28)/p-1
PDB
MMDB

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n/an/a 3.45E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31260
PNG
(isoindolinone scaffold, 51)
Show SMILES COC(=O)C(Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1(OCCOC(C)=O)c1ccccc1
Show InChI InChI=1S/C28H27NO7/c1-19(30)35-16-17-36-28(21-8-4-3-5-9-21)24-11-7-6-10-23(24)26(32)29(28)25(27(33)34-2)18-20-12-14-22(31)15-13-20/h3-15,25,31H,16-18H2,1-2H3
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n/an/a 3.80E+5n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31234
PNG
(isoindolinone scaffold, 20)
Show SMILES O=C1CCCN1CCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H26N2O3/c30-25-16-9-17-28(25)18-19-32-27(22-12-5-2-6-13-22)24-15-8-7-14-23(24)26(31)29(27)20-21-10-3-1-4-11-21/h1-8,10-15H,9,16-20H2
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n/an/a 3.93E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31257
PNG
(isoindolinone scaffold, 48)
Show SMILES CCCOC1(N(Cc2ccc(OC)cc2)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C25H25NO3/c1-3-17-29-25(20-9-5-4-6-10-20)23-12-8-7-11-22(23)24(27)26(25)18-19-13-15-21(28-2)16-14-19/h4-16H,3,17-18H2,1-2H3
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n/an/a 4.13E+5n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31235
PNG
(isoindolinone scaffold, 21)
Show SMILES C=CC(=O)OCCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C26H23NO4/c1-2-24(28)30-17-18-31-26(21-13-7-4-8-14-21)23-16-10-9-15-22(23)25(29)27(26)19-20-11-5-3-6-12-20/h2-16H,1,17-19H2
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n/an/a 4.39E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31254
PNG
(isoindolinone scaffold, 44)
Show SMILES COCCOC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H23NO3/c1-27-16-17-28-24(20-12-6-3-7-13-20)22-15-9-8-14-21(22)23(26)25(24)18-19-10-4-2-5-11-19/h2-15H,16-18H2,1H3
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n/an/a 4.90E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31261
PNG
(isoindolinone scaffold, 53)
Show SMILES CCCOC1(N(CCO)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C19H21NO3/c1-2-14-23-19(15-8-4-3-5-9-15)17-11-7-6-10-16(17)18(22)20(19)12-13-21/h3-11,21H,2,12-14H2,1H3
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n/an/a>5.00E+5n/an/an/an/an/an/a



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (human))
BDBM31255
PNG
(isoindolinone scaffold, 45)
Show SMILES COC(=O)COC1(N(Cc2ccccc2)C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C24H21NO4/c1-28-22(26)17-29-24(19-12-6-3-7-13-19)21-15-9-8-14-20(21)23(27)25(24)16-18-10-4-2-5-11-18/h2-15H,16-17H2,1H3
PDB
MMDB

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n/an/a>5.00E+5n/an/an/an/a7.44



University of Newcastle upon Tyne



Assay Description
For initial testing, the compounds and controls were plated out in triplicate into clear 96-well plates (Nunc) in 10 ul aliquots to give final concen...


J Med Chem 49: 6209-21 (2006)


Article DOI: 10.1021/jm0601194
BindingDB Entry DOI: 10.7270/Q2R49P3V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%