Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM50436874'   

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))	BDBM50436874 (CHEMBL2403871) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C22H34N4O3/c1-13(2)19(26-20(27)14(3)23-5)22(29)24-15(4)21(28)25-18-12-8-10-16-9-6-7-11-17(16)18/h6-7,9,11,13-15,18-19,23H,8,10,12H2,1-5H3,(H,24,29)(H,25,28)(H,26,27)/t14-,15-,18+,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	780	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 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 4253-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.096 BindingDB Entry DOI: 10.7270/Q2BC40ZK
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50436874 (CHEMBL2403871) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc12 |r| Show InChI InChI=1S/C22H34N4O3/c1-13(2)19(26-20(27)14(3)23-5)22(29)24-15(4)21(28)25-18-12-8-10-16-9-6-7-11-17(16)18/h6-7,9,11,13-15,18-19,23H,8,10,12H2,1-5H3,(H,24,29)(H,25,28)(H,26,27)/t14-,15-,18+,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.65E+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 (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 23: 4253-7 (2013) Article DOI: 10.1016/j.bmcl.2013.04.096 BindingDB Entry DOI: 10.7270/Q2BC40ZK
					More data for this Ligand-Target Pair