Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM50348191'   

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))	BDBM50348191 (CHEMBL1800335) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H40N4O3/c1-21(31-2)28(35)33-27(24-17-10-5-11-18-24)30(37)34-20-12-19-25(34)29(36)32-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-4,6-9,13-16,21,24-27,31H,5,10-12,17-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of XIAP BIR3 domain by fluorescent polarization assay				Bioorg Med Chem Lett 21: 4332-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.049 BindingDB Entry DOI: 10.7270/Q2S46SBD
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50348191 (CHEMBL1800335) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C30H40N4O3/c1-21(31-2)28(35)33-27(24-17-10-5-11-18-24)30(37)34-20-12-19-25(34)29(36)32-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-4,6-9,13-16,21,24-27,31H,5,10-12,17-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of XIAP BIR2 domain by fluorescent polarization assay				Bioorg Med Chem Lett 21: 4332-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.049 BindingDB Entry DOI: 10.7270/Q2S46SBD
					More data for this Ligand-Target Pair