Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50012591'   

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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50012591 (CHEMBL3260819) Show SMILES CNC(=O)Cc1ccc(Cl)c(F)c1-n1c(nc(-c2nnc(N)o2)c1-c1ccc(F)c(Cl)c1)C1CCCCC1 |(31.38,-37.05,;32.74,-36.33,;32.8,-34.79,;31.49,-33.97,;34.16,-34.07,;35.46,-34.89,;35.41,-36.43,;36.71,-37.25,;38.08,-36.52,;39.38,-37.33,;38.13,-34.99,;39.49,-34.26,;36.83,-34.17,;36.88,-32.64,;38.16,-31.78,;37.74,-30.3,;36.19,-30.25,;35.32,-28.97,;33.79,-28.92,;33.36,-27.44,;34.64,-26.58,;34.69,-25.04,;35.85,-27.52,;35.67,-31.69,;34.13,-31.69,;33.36,-33.01,;31.83,-33.01,;31.05,-31.67,;29.51,-31.66,;31.83,-30.34,;31.07,-29,;33.37,-30.35,;39.6,-32.31,;39.87,-33.83,;41.31,-34.36,;42.49,-33.37,;42.22,-31.85,;40.78,-31.32,)| Show InChI InChI=1S/C26H24Cl2F2N6O2/c1-32-19(37)12-15-7-9-16(27)20(30)22(15)36-23(14-8-10-18(29)17(28)11-14)21(25-34-35-26(31)38-25)33-24(36)13-5-3-2-4-6-13/h7-11,13H,2-6,12H2,1H3,(H2,31,35)(H,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay				Bioorg Med Chem Lett 24: 2110-4 (2014) Article DOI: 10.1016/j.bmcl.2014.03.039 BindingDB Entry DOI: 10.7270/Q2RJ4M1C
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