BDBM50111440 4-(1-carbamoyl-4-methylpentanamide-2-yl-cyclopropylcarbamoyl)-4-{2-(6-chloro-1H-3-indolyl)-1-[1-{1-methyl-1-[1-(1-methylcarboxamido-2-phenylethylcarboxamido)-3-methylsulfanylpropylcarboxamido]ethylcarboxamido}-2-(4-methylphosphatephenyl)ethylcarboxamido]ethylcarboxamido}butanoic acid::Ac-Phe-Met-Aib-Pmp-6-Cl-Trp-Glu-Ac3c-Leu-NH2, GST-hdm2 binding peptide::CID44286587
SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(CP([O-])([O-])=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)NC1(CC1)C(=O)N[C@@H](CC(C)C)C(N)=O
InChI Key: InChIKey=FBKFDSUZBVDZIX-FFGDOFBPSA-L
Data: 2 IC50
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)) | BDBM50111440 (4-(1-carbamoyl-4-methylpentanamide-2-yl-cyclopropy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
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 | |||||||||||||
Glutathione S-transferase A2 (Homo sapiens (Human)) | BDBM50111440 (4-(1-carbamoyl-4-methylpentanamide-2-yl-cyclopropy...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibition of p53 binding to Glutathione S-transferase 2 (hdm2-GST) | J Med Chem 45: 1543-58 (2002) BindingDB Entry DOI: 10.7270/Q2CN74ND | |||||||||||
More data for this Ligand-Target Pair |