Found 31 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of human MDM2 by TR-FRET assay |
J Med Chem 58: 6348-58 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00810 BindingDB Entry DOI: 10.7270/Q2HQ41QV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(90/97 = 93%)† (Canis lupus familiaris) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of dog MDM2 by TR-FRET assay |
J Med Chem 58: 6348-58 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00810 BindingDB Entry DOI: 10.7270/Q2HQ41QV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(85/97 = 88%)† (Mus musculus) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of mouse MDM2 by TR-FRET assay |
J Med Chem 58: 6348-58 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00810 BindingDB Entry DOI: 10.7270/Q2HQ41QV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM31197
(CHEMBL211045 | Nutlin-3 | med.21724, Compound 186)Show SMILES COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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) | PDB MMDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University
Curated by ChEMBL
| Assay Description Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measur... |
Eur J Med Chem 126: 384-407 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.029 BindingDB Entry DOI: 10.7270/Q2JQ1381 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM31197
(CHEMBL211045 | Nutlin-3 | med.21724, Compound 186)Show SMILES COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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) | PDB MMDB
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| 36 | -42.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 23 |
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 Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM31197
(CHEMBL211045 | Nutlin-3 | med.21724, Compound 186)Show SMILES COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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) | PDB MMDB
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| 36 | -42.2 | n/a | n/a | n/a | n/a | n/a | 7.5 | 23 |
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 Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mi... |
J Med Chem 59: 3152-62 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Second Military Medical University
Curated by ChEMBL
| Assay Description Binding affinity to MDM2 (unknown origin) assessed as inhibition of interaction with p53 after 1 hr by fluorescence polarization binding assay |
Bioorg Med Chem Lett 24: 2648-50 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.063 BindingDB Entry DOI: 10.7270/Q2QV3P22 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Science and Peking Union Medical College
Curated by ChEMBL
| Assay Description Binding affinity to MDM2 (1 to 118) (unknown origin) after 30 mins by fluorescence polarization assay |
Eur J Med Chem 81: 277-88 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.027 BindingDB Entry DOI: 10.7270/Q2736SGW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| 121 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of MDM2 binding domain assessed as inhibition of p53 binding to MDM2 after 1 hr by fluorescence polarization assay |
Eur J Med Chem 56: 10-16 (2012)
Article DOI: 10.1016/j.ejmech.2012.08.003 BindingDB Entry DOI: 10.7270/Q2K938SR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Inhibition of MDM2 (unknown origin) preincubated for 30 mins by fluorescence polarization assay |
J Med Chem 61: 7245-7260 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00664 BindingDB Entry DOI: 10.7270/Q2R213Z9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description Inhibition of Cy5-labeled p53 derived TFSDLWKLL peptide binding to C-terminal biotin-labelled human MDM2 (2 to 188 residues) by TR-FRET assay |
Bioorg Med Chem Lett 28: 3404-3408 (2018)
Article DOI: 10.1016/j.bmcl.2018.08.027 BindingDB Entry DOI: 10.7270/Q2C82D0H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo... |
J Med Chem 56: 4053-70 (2013)
Article DOI: 10.1021/jm400293z BindingDB Entry DOI: 10.7270/Q2HD7X1P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Newcastle University
Curated by ChEMBL
| Assay Description Inhibition of Mdm2 -p53 protein interaction by ELISA |
J Med Chem 54: 1233-43 (2011)
Article DOI: 10.1021/jm1011929 BindingDB Entry DOI: 10.7270/Q29K4BHN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to HDM2 (unknown origin) by fluorescence polarization peptide displacement assay |
Bioorg Med Chem Lett 24: 1983-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.02.055 BindingDB Entry DOI: 10.7270/Q2XD136F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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Roche Research Center
Curated by ChEMBL
| Assay Description Inhibition of N-terminal human recombinant MDM2 assessed as inhibition of protein interaction with p53 by HTRF assay |
ACS Med Chem Lett 4: 466-9 (2013)
Article DOI: 10.1021/ml4000657 BindingDB Entry DOI: 10.7270/Q2JS9RTS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo... |
J Med Chem 56: 4053-70 (2013)
Article DOI: 10.1021/jm400293z BindingDB Entry DOI: 10.7270/Q2HD7X1P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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The University of Texas Health Science Center at Houston
Curated by ChEMBL
| Assay Description Inhibition of MDM2 (unknown origin) assessed as activation of p53 |
Bioorg Med Chem 21: 2418-25 (2013)
Article DOI: 10.1016/j.bmc.2012.11.026 BindingDB Entry DOI: 10.7270/Q2R212QR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea University College of Pharmacy Sejong-ro
Curated by ChEMBL
| Assay Description Inhibition of HDM2 binding to p53 |
Bioorg Med Chem 20: 1893-901 (2012)
Article DOI: 10.1016/j.bmc.2011.12.016 BindingDB Entry DOI: 10.7270/Q2SQ91HJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of MDM2 binding to p53 |
Bioorg Med Chem Lett 22: 6338-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.086 BindingDB Entry DOI: 10.7270/Q2SX6F9R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco
Curated by ChEMBL
| Assay Description Binding affinity to human HDM2 assessed as inhibition of HDM2-p53 interaction |
Nature 450: 1001-1009 (2007)
Article DOI: 10.1038/nature06526 BindingDB Entry DOI: 10.7270/Q24Q7VTV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine
Curated by ChEMBL
| Assay Description Binding affinity to MDM2 (unknown origin) |
J Med Chem 58: 1038-52 (2015)
Article DOI: 10.1021/jm501092z BindingDB Entry DOI: 10.7270/Q21G0NZ5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
JSS Academy of Higher Education and Research
Curated by ChEMBL
| Assay Description Inhibition of recombinant p53 protein binding to recombinant human MDM2 by surface plasmon resonance method |
Eur J Med Chem 158: 7-24 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.099 BindingDB Entry DOI: 10.7270/Q28G8PC5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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Sanofi
Curated by ChEMBL
| Assay Description Antagonist activity at human GST-tagged MDM2 assessed as inhibition of binding to full length p53 |
Bioorg Med Chem Lett 23: 2480-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.034 BindingDB Entry DOI: 10.7270/Q2RN3970 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM31197
(CHEMBL211045 | Nutlin-3 | med.21724, Compound 186)Show SMILES COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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) | PDB MMDB
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| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pisa
Curated by ChEMBL
| Assay Description Binding affinity to MDM2 in human U87MG cells assessed as inhibition of MDM2/p53 protein interaction after 10 mins by quantitative sandwich immuno as... |
J Med Chem 59: 4526-38 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01767 BindingDB Entry DOI: 10.7270/Q2NV9M6P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM31197
(CHEMBL211045 | Nutlin-3 | med.21724, Compound 186)Show SMILES COc1ccc(C2=NC(C(N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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) | PDB MMDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged MDM2 binding to p53 by ELISA |
Bioorg Med Chem Lett 22: 6338-42 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.086 BindingDB Entry DOI: 10.7270/Q2SX6F9R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of New York
Curated by ChEMBL
| Assay Description Inhibition of human GST-tagged Mdm2 expressed in Escherichia coli harboring integrated p53-Mmd2 protein assessed as blockade of enzyme-p53 interactio... |
Bioorg Med Chem Lett 21: 1472-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.004 BindingDB Entry DOI: 10.7270/Q2M32W33 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
University of East Anglia
Curated by ChEMBL
| Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ... |
Bioorg Med Chem Lett 25: 4878-80 (2015)
Article DOI: 10.1016/j.bmcl.2015.06.014 BindingDB Entry DOI: 10.7270/Q2MS3VK7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yale University
Curated by ChEMBL
| Assay Description Binding affinity to MDM2 |
Bioorg Med Chem Lett 18: 5904-8 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.114 BindingDB Entry DOI: 10.7270/Q2W66MPF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
Dalian University of Technology
Curated by ChEMBL
| Assay Description Binding affinity to 15N-labeled MDM2 (unknown origin) by 2D 1H-15N HSQC NMR spectroscopic method |
J Med Chem 59: 3152-62 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01913 BindingDB Entry DOI: 10.7270/Q2S75KBK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(91/97 = 94%)† (Homo sapiens (Human)) | BDBM50229787
((4S,5R)-Nutlin-3 | (rac)-(4,5-bis(4-chlorophenyl)-...)Show SMILES COc1ccc(C2=N[C@H]([C@H](N2C(=O)N2CCNC(=O)C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(OC(C)C)c1 |t:6| 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)/t27-,28+/m0/s1 | PDB MMDB
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Institute for Biochemistry
Curated by ChEMBL
| Assay Description Binding affinity to human wild type Mdm2 by isothermal titration calorimetry |
J Med Chem 51: 5035-42 (2008)
Article DOI: 10.1021/jm8002813 BindingDB Entry DOI: 10.7270/Q2CZ3821 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |