Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50069788'   

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))	BDBM50069788 (CHEMBL3407565) Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)Nc2ccc(CC(O)=O)cc2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C37H42Cl2N2O6S/c1-36(2,3)48(46,47)22-31(24-10-11-24)41-34(25-12-14-27(38)15-13-25)30(26-6-5-7-28(39)19-26)20-37(4,35(41)45)21-32(42)40-29-16-8-23(9-17-29)18-33(43)44/h5-9,12-17,19,24,30-31,34H,10-11,18,20-22H2,1-4H3,(H,40,42)(H,43,44)/t30-,31-,34-,37-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity to human GST-thrombin-tagged MDM2 ( 1 to 188 aa) assessed as inhibition of interaction with human p53 preincubated with compound for...				J Med Chem 57: 10499-511 (2014) Article DOI: 10.1021/jm501550p BindingDB Entry DOI: 10.7270/Q2571DPW
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