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PubMed code 16630722

Compile data set for download or QSAR
Found 13 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))
BDBM31288
PNG
(1,4-benzodiazepine-2,5-dione scaffold, 2 | BMCL163...)
Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N
Show InChI InChI=1S/C28H26Cl2IN3O4/c1-16(21-11-9-19(30)14-23(21)32)34-26(17-5-7-18(29)8-6-17)28(38)33(13-3-2-4-25(35)36)24-12-10-20(31)15-22(24)27(34)37/h5-12,14-16,26H,2-4,13,32H2,1H3,(H,35,36)/t16-,26+/m1/s1
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PubMed
n/an/a 250n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31293
PNG
(1,4-benzodiazepine-2,5-dione scaffold, 22 | BMCL16...)
Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N
Show InChI InChI=1S/C29H29Cl2IN4O3/c1-18(23-8-6-21(31)16-25(23)33)36-27(19-2-4-20(30)5-3-19)29(38)35(11-10-34-12-14-39-15-13-34)26-9-7-22(32)17-24(26)28(36)37/h2-9,16-18,27H,10-15,33H2,1H3/t18-,27+/m1/s1
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n/an/a 367n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31289
PNG
(1,4-benzodiazepine-2,5-dione scaffold, 21 | BMCL16...)
Show SMILES COCCOCCN1c2ccc(I)cc2C(=O)N([C@H](C)c2ccc(Cl)cc2N)[C@@H](c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C28H28Cl2IN3O4/c1-17(22-9-7-20(30)15-24(22)32)34-26(18-3-5-19(29)6-4-18)28(36)33(11-12-38-14-13-37-2)25-10-8-21(31)16-23(25)27(34)35/h3-10,15-17,26H,11-14,32H2,1-2H3/t17-,26+/m1/s1
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n/an/a 394n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31314
PNG
(1,4-benzodiazepine-2,5-dione, 12k)
Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N
Show InChI InChI=1S/C31H34Cl2IN5O2/c1-20(25-10-8-23(33)18-27(25)35)39-29(21-4-6-22(32)7-5-21)31(41)38(13-3-12-37-16-14-36(2)15-17-37)28-11-9-24(34)19-26(28)30(39)40/h4-11,18-20,29H,3,12-17,35H2,1-2H3/t20-,29+/m1/s1
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n/an/a 546n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31313
PNG
(1,4-benzodiazepine-2,5-dione, 12j)
Show SMILES CC#Cc1ccc2N(CCN3CCOCC3)C(=O)[C@@H](N([C@H](C)c3ccc(Cl)cc3N)C(=O)c2c1)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H32Cl2N4O3/c1-3-4-22-5-12-29-27(19-22)31(39)38(21(2)26-11-10-25(34)20-28(26)35)30(23-6-8-24(33)9-7-23)32(40)37(29)14-13-36-15-17-41-18-16-36/h5-12,19-21,30H,13-18,35H2,1-2H3/t21-,30+/m1/s1
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n/an/a 787n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31305
PNG
(1,4-benzodiazepine-2,5-dione, 12b | BMCL163310 Com...)
Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H25Cl2IN2O4/c1-17(18-5-9-20(29)10-6-18)33-26(19-7-11-21(30)12-8-19)28(37)32(15-3-2-4-25(34)35)24-14-13-22(31)16-23(24)27(33)36/h5-14,16-17,26H,2-4,15H2,1H3,(H,34,35)/t17-,26+/m1/s1
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n/an/a 856n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31316
PNG
(1,4-benzodiazepine-2,5-dione, 12m)
Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CC(=O)N2CCNCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N
Show InChI InChI=1S/C29H28Cl2IN5O3/c1-17(22-8-6-20(31)14-24(22)33)37-27(18-2-4-19(30)5-3-18)29(40)36(16-26(38)35-12-10-34-11-13-35)25-9-7-21(32)15-23(25)28(37)39/h2-9,14-15,17,27,34H,10-13,16,33H2,1H3/t17-,27+/m1/s1
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n/an/a 1.55E+3n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31310
PNG
(1,4-benzodiazepine-2,5-dione, 12g)
Show SMILES COCCOCCN1c2ccc(I)cc2C(=O)N([C@H](C)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C28H27Cl2IN2O4/c1-18(19-3-7-21(29)8-4-19)33-26(20-5-9-22(30)10-6-20)28(35)32(13-14-37-16-15-36-2)25-12-11-23(31)17-24(25)27(33)34/h3-12,17-18,26H,13-16H2,1-2H3/t18-,26+/m1/s1
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n/an/a 2.39E+3n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31306
PNG
(1,4-benzodiazepine-2,5-dione, 12c)
Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H28Cl2IN3O3/c1-19(20-2-6-22(30)7-3-20)35-27(21-4-8-23(31)9-5-21)29(37)34(13-12-33-14-16-38-17-15-33)26-11-10-24(32)18-25(26)28(35)36/h2-11,18-19,27H,12-17H2,1H3/t19-,27+/m1/s1
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n/an/a 2.70E+3n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31315
PNG
(1,4-benzodiazepine-2,5-dione, 12l)
Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CC(=O)N2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H26Cl2IN3O4/c1-18(19-2-6-21(30)7-3-19)35-27(20-4-8-22(31)9-5-20)29(38)34(17-26(36)33-12-14-39-15-13-33)25-11-10-23(32)16-24(25)28(35)37/h2-11,16,18,27H,12-15,17H2,1H3/t18-,27+/m1/s1
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n/an/a 5.40E+3n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31307
PNG
(1,4-benzodiazepine-2,5-dione, 12d)
Show SMILES C[C@@H](N1[C@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H28Cl2IN3O3/c1-19(20-2-6-22(30)7-3-20)35-27(21-4-8-23(31)9-5-21)29(37)34(13-12-33-14-16-38-17-15-33)26-11-10-24(32)18-25(26)28(35)36/h2-11,18-19,27H,12-17H2,1H3/t19-,27-/m1/s1
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n/an/a 6.25E+3n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31311
PNG
(1,4-benzodiazepine-2,5-dione, 12h)
Show SMILES COCCOCCN1c2ccc(I)cc2C(=O)N([C@@H](C)c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)C1=O
Show InChI InChI=1S/C28H27Cl2IN2O4/c1-18(19-3-7-21(29)8-4-19)33-26(20-5-9-22(30)10-6-20)28(35)32(13-14-37-16-15-36-2)25-12-11-23(31)17-24(25)27(33)34/h3-12,17-18,26H,13-16H2,1-2H3/t18-,26+/m0/s1
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n/an/a>1.25E+4n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31309
PNG
(1,4-benzodiazepine-2,5-dione, 12f)
Show SMILES C[C@H](N1[C@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N
Show InChI InChI=1S/C29H29Cl2IN4O3/c1-18(23-8-6-21(31)16-25(23)33)36-27(19-2-4-20(30)5-3-19)29(38)35(11-10-34-12-14-39-15-13-34)26-9-7-22(32)17-24(26)28(36)37/h2-9,16-18,27H,10-15,33H2,1H3/t18-,27+/m0/s1
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n/an/a 1.31E+4n/an/an/an/a7.423



Johnson & Johnson Pharmaceutical



Assay Description
Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...


Bioorg Med Chem Lett 16: 3115-20 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.067
BindingDB Entry DOI: 10.7270/Q2ZP44F6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%