BDBM50008748 CHEMBL3236357
SMILES: CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(Cc2ncc(CC(O)=O)s2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)c(F)c1
InChI Key: InChIKey=HNLHOKSDTBAERS-CWIPYCOQSA-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)) | BDBM50008748 (CHEMBL3236357) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents 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) | ||||||||||||
MDM2-MDMX (Homo sapiens (Human)) | BDBM50008748 (CHEMBL3236357) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 58 | 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 quantitative RT-PCR anal... | 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) | ||||||||||||
p53-Binding Protein HDMX (Homo sapiens (Human)) | BDBM50008748 (CHEMBL3236357) | PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Binding affinity to MDMX (unknown origin) assessed as inhibition of interaction with p53 in serum free buffer incubated for 20 mins prior to p53 addi... | 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 | |||||||||||||
MDM2-MDMX (Homo sapiens (Human)) | BDBM50008748 (CHEMBL3236357) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.800 | 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) |