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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM31285'   
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))
BDBM31285
PNG
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)
Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity between MDM2 and p53 protein in fluorescence peptide assay


Bioorg Med Chem Lett 15: 1857-61 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.018
BindingDB Entry DOI: 10.7270/Q21G0KRN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31285
PNG
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)
Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1
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n/an/a 420n/an/an/an/a7.523



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: 3310-4 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.055
BindingDB Entry DOI: 10.7270/Q2TX3CP1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31285
PNG
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)
Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1
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n/an/a 420n/an/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HDM2


Nature 450: 1001-1009 (2007)


Article DOI: 10.1038/nature06526
BindingDB Entry DOI: 10.7270/Q24Q7VTV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31285
PNG
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)
Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1
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n/an/an/a 80n/an/an/an/an/a



Broad Institute of Harvard and MIT

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled p53 peptide from HDM2 by fluorescence polarization assay


Bioorg Med Chem 20: 1979-89 (2012)


Article DOI: 10.1016/j.bmc.2011.11.071
BindingDB Entry DOI: 10.7270/Q22J6CVS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31285
PNG
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)
Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1
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n/an/an/a 67n/an/an/an/an/a



University of California at San Francisco

Curated by ChEMBL


Assay Description
Binding affinity to human HDM2


Nature 450: 1001-1009 (2007)


Article DOI: 10.1038/nature06526
BindingDB Entry DOI: 10.7270/Q24Q7VTV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))
BDBM31285
PNG
(BMCL163310 Compound 1 | CHEMBL361103 | benzodiazep...)
Show SMILES OC(=O)[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)Nc2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C23H15Cl2IN2O4/c24-14-5-1-12(2-6-14)19-21(29)27-18-10-9-16(26)11-17(18)22(30)28(19)20(23(31)32)13-3-7-15(25)8-4-13/h1-11,19-20H,(H,27,29)(H,31,32)/t19-,20-/m0/s1
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Article
PubMed
n/an/an/a 80n/an/an/a7.523



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...


J Med Chem 48: 909-12 (2005)


Article DOI: 10.1021/jm049137g
BindingDB Entry DOI: 10.7270/Q2765CP8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)