Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM50436682'   

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))	BDBM50436682 (CHEMBL2396674) 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:33.38,17.19,8.8,31.34,5.4,wD:33.37,7.31,(42.41,-31.09,;41.21,-30.13,;41.45,-28.61,;42.69,-29.73,;39.78,-30.69,;38.58,-29.72,;38.65,-28.19,;37.21,-27.64,;36.25,-28.84,;34.91,-28.07,;33.58,-28.84,;32.23,-28.08,;32.23,-26.52,;33.57,-25.75,;33.56,-24.21,;34.91,-26.52,;34.9,-24.97,;37.09,-30.13,;38,-31.39,;39.54,-31.39,;37.09,-32.64,;35.61,-32.16,;34.28,-32.93,;32.95,-32.16,;31.61,-32.93,;32.95,-30.62,;34.28,-29.85,;35.61,-30.61,;37.21,-26.1,;35.88,-25.33,;38.55,-25.33,;40.09,-25.32,;41.18,-24.24,;42.26,-25.32,;43.59,-24.55,;43.6,-26.09,;41.19,-26.42,)| 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	0.440	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))	BDBM50436682 (CHEMBL2396674) 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:33.38,17.19,8.8,31.34,5.4,wD:33.37,7.31,(42.41,-31.09,;41.21,-30.13,;41.45,-28.61,;42.69,-29.73,;39.78,-30.69,;38.58,-29.72,;38.65,-28.19,;37.21,-27.64,;36.25,-28.84,;34.91,-28.07,;33.58,-28.84,;32.23,-28.08,;32.23,-26.52,;33.57,-25.75,;33.56,-24.21,;34.91,-26.52,;34.9,-24.97,;37.09,-30.13,;38,-31.39,;39.54,-31.39,;37.09,-32.64,;35.61,-32.16,;34.28,-32.93,;32.95,-32.16,;31.61,-32.93,;32.95,-30.62,;34.28,-29.85,;35.61,-30.61,;37.21,-26.1,;35.88,-25.33,;38.55,-25.33,;40.09,-25.32,;41.18,-24.24,;42.26,-25.32,;43.59,-24.55,;43.6,-26.09,;41.19,-26.42,)| 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	6.80	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