Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM31198'   

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))	BDBM31198 (spiro-oxindole, 4) Show SMILES CC(C)(C)C[C@H]1N[C@H]([C@H](c2cccc(Cl)c2)[C@@]11C(=O)Nc2cc(Cl)ccc12)C(=O)NCCN1CCOCC1 |r| Show InChI InChI=1S/C29H36Cl2N4O3/c1-28(2,3)17-23-29(21-8-7-20(31)16-22(21)33-27(29)37)24(18-5-4-6-19(30)15-18)25(34-23)26(36)32-9-10-35-11-13-38-14-12-35/h4-8,15-16,23-25,34H,9-14,17H2,1-3H3,(H,32,36)(H,33,37)/t23-,24+,25-,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	13	-44.7	n/a	n/a	n/a	n/a	n/a	7.5	23
University of Michigan					Assay Description The dose-dependent binding experiments were carried out with serial dilutions of the tested compounds in DMSO. A 5 ul sample of the tested samples an...				J Med Chem 49: 3432-5 (2006) Article DOI: 10.1021/jm051122a BindingDB Entry DOI: 10.7270/Q24F1P3B
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