Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM50465625'   

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))	BDBM50465625 (CHEMBL4288451) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r| Show InChI InChI=1S/C27H33FN4O6S/c1-16(29-2)25(33)31-23(15-17-8-10-18(11-9-17)39(36,37)38)27(35)32-14-4-7-24(32)26(34)30-22-13-12-19-20(22)5-3-6-21(19)28/h3,5-6,8-11,16,22-24,29H,4,7,12-15H2,1-2H3,(H,30,34)(H,31,33)(H,36,37,38)/t16-,22+,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Displacement of AVPIAQKSEK-biotin from N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM50465625 (CHEMBL4288451) Show SMILES CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)S(O)(=O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c1cccc2F |r| Show InChI InChI=1S/C27H33FN4O6S/c1-16(29-2)25(33)31-23(15-17-8-10-18(11-9-17)39(36,37)38)27(35)32-14-4-7-24(32)26(34)30-22-13-12-19-20(22)5-3-6-21(19)28/h3,5-6,8-11,16,22-24,29H,4,7,12-15H2,1-2H3,(H,30,34)(H,31,33)(H,36,37,38)/t16-,22+,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a
University of California Riverside Curated by ChEMBL					Assay Description Binding affinity to N-terminal His-tagged human recombinant XIAP BIR3 (253 to 347 residues) expressed in Escherichia coli BL21(DE3) Gold by isotherma...				J Med Chem 61: 6350-6363 (2018) Article DOI: 10.1021/acs.jmedchem.8b00810 BindingDB Entry DOI: 10.7270/Q29W0J4S
					More data for this Ligand-Target Pair