Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cellular tumor antigen p53' and Ligand = 'BDBM50404068'   

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
Cellular tumor antigen p53 (Homo sapiens (Human))	BDBM50404068 (CHEMBL4175464) Show SMILES CN(C)Cc1cc(I)c(c(I)c1O)-n1cccc1 Show InChI InChI=1S/C24H23N3O5/c28-24-26(14-15-31-24)22(7-4-18-10-12-25-13-11-18)17-32-23-8-5-19(6-9-23)20-2-1-3-21(16-20)27(29)30/h1-3,5-6,8-13,16,22H,4,7,14-15,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a
University of Southampton Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged p53 DNA binding domain Y220C mutant (94 to 312 residues) (unknown origin) expressed in Escherichia coli C4...				Eur J Med Chem 152: 101-114 (2018) Article DOI: 10.1016/j.ejmech.2018.04.035 BindingDB Entry DOI: 10.7270/Q2ZS303Q
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