BDBM50008819 CHEMBL3236665::US9758495, 1
SMILES: CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](O[C@@](C)(Cc2ccc(cn2)C(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1
InChI Key: InChIKey=OTQRFDJHHZHHNT-LNHQPZRBSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
MDM2-MDMX (Homo sapiens (Human)) | BDBM50008819 (CHEMBL3236665 | US9758495, 1) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1 | 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: 2963-88 (2014) Article DOI: 10.1021/jm401911v BindingDB Entry DOI: 10.7270/Q2862J0J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
E3 ubiquitin-protein ligase Mdm2 (aa 1-188) (Homo sapiens (Human)) | BDBM50008819 (CHEMBL3236665 | US9758495, 1) | PDB GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. US Patent | Assay Description The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in... | US Patent US9758495 (2017) BindingDB Entry DOI: 10.7270/Q24M96NG | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
MDM2-MDMX (Homo sapiens (Human)) | BDBM50008819 (CHEMBL3236665 | US9758495, 1) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 0.100 | 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: 2963-88 (2014) Article DOI: 10.1021/jm401911v BindingDB Entry DOI: 10.7270/Q2862J0J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |