Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50165844'   

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))	BDBM50165844 (CHEMBL3799179) Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(Cc2ccccc2)CC1)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C35H37F6N3O3/c1-2-7-30-33(47-27-12-10-26(11-13-27)34(36,37)38,32(46)43-20-15-25(16-21-43)22-24-8-4-3-5-9-24)17-6-19-44(30)31(45)28-23-42-18-14-29(28)35(39,40)41/h3-5,8-14,18,23,25,30H,2,6-7,15-17,19-22H2,1H3/t30-,33+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay				Bioorg Med Chem Lett 26: 2735-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.078 BindingDB Entry DOI: 10.7270/Q28S4RTD
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