Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50605141'   

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))	BDBM50605141 (CHEMBL5197590) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@@]1(CN[C@H]1CC[C@H](O)CC1)c1ccc(Cl)cc1F)C(=O)Nc1ccc(cc1)C(O)=O |r,wU:17.19,8.8,5.4,23.25,wD:20.21,7.38,(1.08,-6.42,;1.08,-4.88,;2.42,-4.11,;2.42,-5.65,;-.25,-4.11,;-.25,-2.57,;.99,-1.66,;.52,-.2,;-1.02,-.2,;-2.56,2.47,;-4.11,2.47,;-4.87,3.81,;-4.1,5.13,;-2.56,5.13,;-1.79,6.46,;-1.79,3.8,;-.25,3.8,;-1.5,-1.66,;-1.78,-3.18,;-1.78,-4.72,;-3.11,-5.49,;-4.45,-4.72,;-5.78,-5.49,;-5.78,-7.03,;-7.11,-7.8,;-4.45,-7.8,;-3.11,-7.03,;-2.98,-2.06,;-3.38,-3.55,;-4.87,-3.95,;-5.96,-2.86,;-7.44,-3.26,;-5.56,-1.38,;-4.08,-.97,;-3.68,.52,;1.29,1.13,;.52,2.47,;2.83,1.13,;3.6,2.47,;5.14,2.47,;5.9,3.8,;5.13,5.13,;3.6,5.13,;2.82,3.81,;5.9,6.47,;7.44,6.47,;5.13,7.8,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00095 BindingDB Entry DOI: 10.7270/Q2V69PP3
					More data for this Ligand-Target Pair