Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188]' and Ligand = 'BDBM238906'   

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
Cellular tumor antigen p53 [18-26]/E3 ubiquitin-protein ligase Mdm2 [2-188] (Homo sapiens (Human))	BDBM238906 (US9403827, 8) Show SMILES COc1ccc(cc1-c1nc2NC(=O)N(C(c2n1C(C)C)c1ccc(Cl)cc1C)c1cc(Cl)ccc1C)C(=O)NCCO Show InChI InChI=1S/C32H33Cl2N5O4/c1-17(2)38-28-27(23-10-9-21(33)14-19(23)4)39(25-16-22(34)8-6-18(25)3)32(42)37-29(28)36-30(38)24-15-20(7-11-26(24)43-5)31(41)35-12-13-40/h6-11,14-17,27,40H,12-13H2,1-5H3,(H,35,41)(H,37,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description Assay 2: For selected compounds displaying IC50s between 0.05 and 5 nM on MDM2, a slightly modified assay is used with the following adaptations: 0.1...				US Patent US9403827 (2016) BindingDB Entry DOI: 10.7270/Q2Z31XKH
					More data for this Ligand-Target Pair