Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM44358'   

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))	BDBM44358 ((2S)-2-[[(2S)-2-amino-1-oxobutyl]amino]-3-methyl-N...) Show SMILES CC[C@H](N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NNc1ccccc1 Show InChI InChI=1S/C18H29N5O3/c1-5-14(19)17(25)21-15(11(2)3)18(26)20-12(4)16(24)23-22-13-9-7-6-8-10-13/h6-12,14-15,22H,5,19H2,1-4H3,(H,20,26)(H,21,25)(H,23,24)/t12-,14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
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 (2009) BindingDB Entry DOI: 10.7270/Q2FN14KV
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