Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM44318'   

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))	BDBM44318 ((2S)-N-[(1S)-2-(benzhydrylamino)-2-keto-1-methyl-e...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H34N4O3/c1-16(2)21(28-23(30)17(3)26-5)25(32)27-18(4)24(31)29-22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18,21-22,26H,1-5H3,(H,27,32)(H,28,30)(H,29,31)/t17-,18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.10E+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
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44318 ((2S)-N-[(1S)-2-(benzhydrylamino)-2-keto-1-methyl-e...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H34N4O3/c1-16(2)21(28-23(30)17(3)26-5)25(32)27-18(4)24(31)29-22(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-18,21-22,26H,1-5H3,(H,27,32)(H,28,30)(H,29,31)/t17-,18-,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.09E+4	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/Q29W0CWK
					More data for this Ligand-Target Pair