Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM59355'   

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))	BDBM59355 (2-{3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropy...) Show SMILES [H]C12CC([H])(C=C1)C1C2C(=O)N(CCC(=O)N2CCN(CC2)c2ccccc2F)C1=O |c:5,TLB:29:7:2:6.5,THB:9:8:2:6.5| Show InChI InChI=1S/C22H24FN3O3/c23-16-3-1-2-4-17(16)24-9-11-25(12-10-24)18(27)7-8-26-21(28)19-14-5-6-15(13-14)20(19)22(26)29/h1-6,14-15,19-20H,7-13H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.00E+5	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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