Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50436683'   

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))	BDBM50436683 (CHEMBL2398478) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@](C)(O)C1 |r,wU:33.37,17.19,8.8,31.34,5.4,wD:33.38,7.31,(28.66,-31.03,;27.45,-30.07,;27.69,-28.55,;28.93,-29.66,;26.02,-30.63,;24.82,-29.66,;24.89,-28.12,;23.45,-27.58,;22.49,-28.78,;21.15,-28.01,;19.82,-28.78,;18.48,-28.02,;18.47,-26.46,;19.81,-25.69,;19.81,-24.15,;21.15,-26.46,;21.14,-24.91,;23.33,-30.07,;24.24,-31.33,;25.78,-31.33,;23.33,-32.58,;21.86,-32.1,;20.52,-32.87,;19.19,-32.1,;17.86,-32.87,;19.19,-30.56,;20.52,-29.79,;21.86,-30.55,;23.46,-26.04,;22.13,-25.26,;24.79,-25.27,;26.33,-25.26,;27.42,-24.18,;28.5,-25.26,;29.83,-24.48,;29.84,-26.02,;27.43,-26.36,)| Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21-,23+,27-,28+/m0/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	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 mins by competition assay				J Med Chem 56: 5553-61 (2014) Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50436683 (CHEMBL2398478) Show SMILES CC(C)(C)C[C@@H]1N[C@H]([C@H](c2cccc(Cl)c2F)[C@]11C(=O)Nc2cc(Cl)ccc12)C(=O)N[C@H]1C[C@](C)(O)C1 |r,wU:33.37,17.19,8.8,31.34,5.4,wD:33.38,7.31,(28.66,-31.03,;27.45,-30.07,;27.69,-28.55,;28.93,-29.66,;26.02,-30.63,;24.82,-29.66,;24.89,-28.12,;23.45,-27.58,;22.49,-28.78,;21.15,-28.01,;19.82,-28.78,;18.48,-28.02,;18.47,-26.46,;19.81,-25.69,;19.81,-24.15,;21.15,-26.46,;21.14,-24.91,;23.33,-30.07,;24.24,-31.33,;25.78,-31.33,;23.33,-32.58,;21.86,-32.1,;20.52,-32.87,;19.19,-32.1,;17.86,-32.87,;19.19,-30.56,;20.52,-29.79,;21.86,-30.55,;23.46,-26.04,;22.13,-25.26,;24.79,-25.27,;26.33,-25.26,;27.42,-24.18,;28.5,-25.26,;29.83,-24.48,;29.84,-26.02,;27.43,-26.36,)| Show InChI InChI=1S/C28H32Cl2FN3O3/c1-26(2,3)13-20-28(17-9-8-14(29)10-19(17)33-25(28)36)21(16-6-5-7-18(30)22(16)31)23(34-20)24(35)32-15-11-27(4,37)12-15/h5-10,15,20-21,23,34,37H,11-13H2,1-4H3,(H,32,35)(H,33,36)/t15-,20-,21-,23+,27-,28+/m0/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	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Binding affinity to recombinant human His-tagged MDM2 (1 to 118 amino acids) using p53-based PMDM6-F as probe after 15 to 30 mins by fluorescence pol...				J Med Chem 56: 5553-61 (2014) Article DOI: 10.1021/jm4005708 BindingDB Entry DOI: 10.7270/Q2SJ1N2D
					More data for this Ligand-Target Pair