Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50069790'   

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))	BDBM50069790 (CHEMBL3407563) Show SMILES CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1[C@@H]([C@H](C[C@](C)(CC(=O)Nc2ccc(cc2)C#N)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C36H39Cl2N3O4S/c1-35(2,3)46(44,45)22-31(24-10-11-24)41-33(25-12-14-27(37)15-13-25)30(26-6-5-7-28(38)18-26)19-36(4,34(41)43)20-32(42)40-29-16-8-23(21-39)9-17-29/h5-9,12-18,24,30-31,33H,10-11,19-20,22H2,1-4H3,(H,40,42)/t30-,31-,33-,36-/m1/s1	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	2.40	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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