BDBM50397778 CHEMBL2177813::US9593129, Example 35
SMILES: OC(=O)C[C@H]1C[C@@H]([C@H](N(CC2CC2)C1=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
InChI Key: InChIKey=OMAPWASVHLHIRY-NQSCKRDGSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CREB-binding protein/p53 (Homo sapiens (Human)) | BDBM50397778 (CHEMBL2177813 | US9593129, Example 35) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 3.44E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Activity at p53 in human SJSA1 cells assessed as induction of p21 mRNA expression after 7 hrs by qRT-PCR analysis in presence of 10% human serum | J Med Chem 55: 4936-54 (2012) Article DOI: 10.1021/jm300354j BindingDB Entry DOI: 10.7270/Q2S75HGJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human)) | BDBM50397778 (CHEMBL2177813 | US9593129, Example 35) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of MDM2-induced proliferation of human SJSA1 cells assessed as EdU incorporation by High content screening assay in presence of 10% serum | 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 (Homo sapiens (Human)) | BDBM50397778 (CHEMBL2177813 | US9593129, Example 35) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 360 | 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) | ||||||||||||
MDM2-MDMX (Homo sapiens (Human)) | BDBM50397778 (CHEMBL2177813 | US9593129, Example 35) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Sichuan University Curated by ChEMBL | Assay Description Inhibition of p53 protein binding to MDM2 (unknown origin) | Eur J Med Chem 176: 92-104 (2019) Article DOI: 10.1016/j.ejmech.2019.05.018 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human)) | BDBM50397778 (CHEMBL2177813 | US9593129, Example 35) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 1.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of MDM2 in human SJSA1 cells assessed as upregulation of p21 transcript level after 7 hrs by qRT-PCR analysis in presence of 10% serum | 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 (aa 1-188) (Homo sapiens (Human)) | BDBM50397778 (CHEMBL2177813 | US9593129, Example 35) | PDB GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 150 | 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 US9593129 (2017) BindingDB Entry DOI: 10.7270/Q20P1232 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
E3 ubiquitin-protein ligase Mdm2 (aa 1-188) (Homo sapiens (Human)) | BDBM50397778 (CHEMBL2177813 | US9593129, Example 35) | PDB GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB US Patent | n/a | n/a | 30 | 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 US9593129 (2017) BindingDB Entry DOI: 10.7270/Q20P1232 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human)) | BDBM50397778 (CHEMBL2177813 | US9593129, Example 35) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 34 | 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) |