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PubMed code 11148027

Compile data set for download or QSAR
Found 15 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))		BDBM31274
PNG
(Chalcone derivative, B)
Show SMILES OC(=O)COc1ccc(\C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H12Cl2O4/c18-14-7-4-12(9-15(14)19)16(20)8-3-11-1-5-13(6-2-11)23-10-17(21)22/h1-9H,10H2,(H,21,22)/b8-3+
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MMDB

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n/an/a 4.90E+4n/an/an/an/a7.423



Max Planck Institute



Assay Description
Interference of the p53-MDM2 binding by test compounds was measured in a 96-well polypropylene round-bottom microtiter plate (Costar, Serocluster). H...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31275
PNG
(Chalcone derivative, B-1)
Show SMILES OC(=O)COc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H12Cl2O4/c18-14-7-1-11(9-15(14)19)2-8-16(20)12-3-5-13(6-4-12)23-10-17(21)22/h1-9H,10H2,(H,21,22)/b8-2+
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n/an/a 1.17E+5n/an/an/an/a7.423



Max Planck Institute



Assay Description
Interference of the p53-MDM2 binding by test compounds was measured in a 96-well polypropylene round-bottom microtiter plate (Costar, Serocluster). H...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31273
PNG
(Chalcone derivative, A)
Show SMILES OC(=O)COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H13ClO4/c18-14-6-4-13(5-7-14)16(19)10-3-12-1-8-15(9-2-12)22-11-17(20)21/h1-10H,11H2,(H,20,21)/b10-3+
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n/an/a 2.06E+5n/an/an/an/a7.423



Max Planck Institute



Assay Description
Interference of the p53-MDM2 binding by test compounds was measured in a 96-well polypropylene round-bottom microtiter plate (Costar, Serocluster). H...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31279
PNG
(Chalcone derivative, F)
Show SMILES O=C(CC(=Nc1ccccc1)c1ccccc1)Nc1ccccc1 |w:4.4|
Show InChI InChI=1S/C21H18N2O/c24-21(23-19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)22-18-12-6-2-7-13-18/h1-15H,16H2,(H,23,24)
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n/an/a>2.50E+5n/an/an/an/a7.423



Max Planck Institute



Assay Description
Interference of the p53-MDM2 binding by test compounds was measured in a 96-well polypropylene round-bottom microtiter plate (Costar, Serocluster). H...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31281
PNG
(Chalcone derivative, H)
Show SMILES O=C(C(C=Nc1ccccc1)c1ccccc1)C(=S)Nc1ccccc1 |w:3.2|
Show InChI InChI=1S/C22H18N2OS/c25-21(22(26)24-19-14-8-3-9-15-19)20(17-10-4-1-5-11-17)16-23-18-12-6-2-7-13-18/h1-16,20H,(H,24,26)
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n/an/a>2.50E+5n/an/an/an/a7.423



Max Planck Institute



Assay Description
Interference of the p53-MDM2 binding by test compounds was measured in a 96-well polypropylene round-bottom microtiter plate (Costar, Serocluster). H...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31276
PNG
(Chalcone derivative, C)
Show SMILES CC(C)(Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C19H17ClO4/c1-19(2,18(22)23)24-16-10-3-13(4-11-16)5-12-17(21)14-6-8-15(20)9-7-14/h3-12H,1-2H3,(H,22,23)/b12-5+
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n/an/a 2.50E+5n/an/an/an/a7.423



Max Planck Institute



Assay Description
Interference of the p53-MDM2 binding by test compounds was measured in a 96-well polypropylene round-bottom microtiter plate (Costar, Serocluster). H...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31280
PNG
(Chalcone derivative, G)
Show SMILES CCOc1ccc(NC(=O)CC(=Nc2ccccc2)c2ccccc2)cc1 |w:12.12|
Show InChI InChI=1S/C23H22N2O2/c1-2-27-21-15-13-20(14-16-21)25-23(26)17-22(18-9-5-3-6-10-18)24-19-11-7-4-8-12-19/h3-16H,2,17H2,1H3,(H,25,26)
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MMDB

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n/an/a>2.50E+5n/an/an/an/a7.423



Max Planck Institute



Assay Description
Interference of the p53-MDM2 binding by test compounds was measured in a 96-well polypropylene round-bottom microtiter plate (Costar, Serocluster). H...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31278
PNG
(Chalcone derivative, E)
Show SMILES CCOC(=O)C(C)(C)Oc1ccc(CCNC(=O)\C=C\C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C24H26ClNO5/c1-4-30-23(29)24(2,3)31-20-11-5-17(6-12-20)15-16-26-22(28)14-13-21(27)18-7-9-19(25)10-8-18/h5-14H,4,15-16H2,1-3H3,(H,26,28)/b14-13+
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n/an/a>2.50E+5n/an/an/an/a7.423



Max Planck Institute



Assay Description
Interference of the p53-MDM2 binding by test compounds was measured in a 96-well polypropylene round-bottom microtiter plate (Costar, Serocluster). H...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31277
PNG
(Chalcone derivative, D)
Show SMILES Oc1ccc2ccc3OCN(Cc4ccccc4)Cc3c2c1
Show InChI InChI=1S/C19H17NO2/c21-16-8-6-15-7-9-19-18(17(15)10-16)12-20(13-22-19)11-14-4-2-1-3-5-14/h1-10,21H,11-13H2
PDB
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n/an/a>2.50E+5n/an/an/an/a7.423



Max Planck Institute



Assay Description
Interference of the p53-MDM2 binding by test compounds was measured in a 96-well polypropylene round-bottom microtiter plate (Costar, Serocluster). H...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31273
PNG
(Chalcone derivative, A)
Show SMILES OC(=O)COc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H13ClO4/c18-14-6-4-13(5-7-14)16(19)10-3-12-1-8-15(9-2-12)22-11-17(20)21/h1-10H,11H2,(H,20,21)/b10-3+
PDB
MMDB

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PubMed
n/an/an/a 2.20E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31275
PNG
(Chalcone derivative, B-1)
Show SMILES OC(=O)COc1ccc(cc1)C(=O)\C=C\c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H12Cl2O4/c18-14-7-1-11(9-15(14)19)2-8-16(20)12-3-5-13(6-4-12)23-10-17(21)22/h1-9H,10H2,(H,21,22)/b8-2+
PDB
MMDB

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n/an/an/a 1.50E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31282
PNG
(Chalcone derivative, L)
Show SMILES CCC(C)Cc1ccc(OCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C13H16Cl2O3/c1-3-8(2)6-9-4-5-10(13(15)12(9)14)18-7-11(16)17/h4-5,8H,3,6-7H2,1-2H3,(H,16,17)
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n/an/an/a 2.50E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31283
PNG
(Chalcone derivative, N)
Show SMILES OC(=O)COc1c(Br)cc(\C=C\C(=O)c2ccc3ccccc3c2)cc1Br
Show InChI InChI=1S/C21H14Br2O4/c22-17-9-13(10-18(23)21(17)27-12-20(25)26)5-8-19(24)16-7-6-14-3-1-2-4-15(14)11-16/h1-11H,12H2,(H,25,26)/b8-5+
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n/an/an/a 2.70E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31274
PNG
(Chalcone derivative, B)
Show SMILES OC(=O)COc1ccc(\C=C\C(=O)c2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C17H12Cl2O4/c18-14-7-4-12(9-15(14)19)16(20)8-3-11-1-5-13(6-2-11)23-10-17(21)22/h1-9H,10H2,(H,21,22)/b8-3+
PDB
MMDB

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n/an/an/a 9.00E+4n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM31276
PNG
(Chalcone derivative, C)
Show SMILES CC(C)(Oc1ccc(\C=C\C(=O)c2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C19H17ClO4/c1-19(2,18(22)23)24-16-10-3-13(4-11-16)5-12-17(21)14-6-8-15(20)9-7-14/h3-12H,1-2H3,(H,22,23)/b12-5+
PDB
MMDB

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n/an/an/a 2.44E+5n/an/an/a7.423



Max Planck Institute



Assay Description
NMR measurements consisted of monitoring changes in chemical shifts and line widths of the backbone amide resonances of uniformly 15N-enriched MDM2 s...

Biochemistry 40: 336-44 (2001)


Article DOI: 10.1021/bi000930v
BindingDB Entry DOI: 10.7270/Q2GQ6W3K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%