Found 3 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50007638' 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
(Homo sapiens (Human)) | BDBM50007638
(CHEMBL3233140)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H31Cl2NO6S/c1-27(2,3)37(34,35)15-21(16-7-8-16)30-24(17-9-11-19(28)12-10-17)25(18-5-4-6-20(29)13-18)36-22(26(30)33)14-23(31)32/h4-6,9-13,16,21-22,24-25H,7-8,14-15H2,1-3H3,(H,31,32)/t21-,22-,24-,25-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in serum f... |
J Med Chem 57: 2472-88 (2014)
Article DOI: 10.1021/jm401767k BindingDB Entry DOI: 10.7270/Q2C24XZZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50007638
(CHEMBL3233140)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H31Cl2NO6S/c1-27(2,3)37(34,35)15-21(16-7-8-16)30-24(17-9-11-19(28)12-10-17)25(18-5-4-6-20(29)13-18)36-22(26(30)33)14-23(31)32/h4-6,9-13,16,21-22,24-25H,7-8,14-15H2,1-3H3,(H,31,32)/t21-,22-,24-,25-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Binding affinity to GST-thrombin-tagged human MDM2 (1 to 188) expressed in Escherichia coli assessed as inhibition of interaction with p53 in buffer ... |
J Med Chem 57: 2472-88 (2014)
Article DOI: 10.1021/jm401767k BindingDB Entry DOI: 10.7270/Q2C24XZZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
E3 ubiquitin-protein ligase Mdm2
(Homo sapiens (Human)) | BDBM50007638
(CHEMBL3233140)Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@H](CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C27H31Cl2NO6S/c1-27(2,3)37(34,35)15-21(16-7-8-16)30-24(17-9-11-19(28)12-10-17)25(18-5-4-6-20(29)13-18)36-22(26(30)33)14-23(31)32/h4-6,9-13,16,21-22,24-25H,7-8,14-15H2,1-3H3,(H,31,32)/t21-,22-,24-,25-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Binding affinity to MDM2 in human HCT116 cells expressing p53 assessed as upregulation of p21 mRNA expression after 7 hrs by qRT-PCR analysis in pres... |
J Med Chem 57: 2472-88 (2014)
Article DOI: 10.1021/jm401767k BindingDB Entry DOI: 10.7270/Q2C24XZZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |