Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50449905'   

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))	BDBM50449905 (CHEMBL4171605) Show SMILES CCOc1cc(ccc1C1=NC(C(N1C(=O)NCCCCCCC(=O)Nc1ccccc1N)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C41H47Cl2N5O3/c1-5-51-35-26-29(41(2,3)4)19-24-32(35)39-47-37(27-15-20-30(42)21-16-27)38(28-17-22-31(43)23-18-28)48(39)40(50)45-25-11-7-6-8-14-36(49)46-34-13-10-9-12-33(34)44/h9-10,12-13,15-24,26,37-38H,5-8,11,14,25,44H2,1-4H3,(H,45,50)(H,46,49)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of MDM2 (unknown origin) preincubated for 30 mins by fluorescence polarization assay				J Med Chem 61: 7245-7260 (2018) Article DOI: 10.1021/acs.jmedchem.8b00664 BindingDB Entry DOI: 10.7270/Q2R213Z9
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