Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM59417'   

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 XIAP (Homo sapiens (Human))	BDBM59417 ((3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d...) Show SMILES CCCCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccccc2)n1 Show InChI InChI=1S/C21H20N4O2S/c1-2-3-13-28-21-23-19-17(24-25-21)15-11-7-8-12-16(15)22-20(27-19)18(26)14-9-5-4-6-10-14/h4-12,20,22H,2-3,13H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2HD7T4S
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