Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM44285'   

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))	BDBM44285 ((2S)-N-[(1S)-1-(anilinocarbamoyl)-2-methyl-propyl]...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1ccccc1 Show InChI InChI=1S/C20H33N5O3/c1-12(2)16(22-18(26)14(5)21-6)19(27)23-17(13(3)4)20(28)25-24-15-10-8-7-9-11-15/h7-14,16-17,21,24H,1-6H3,(H,22,26)(H,23,27)(H,25,28)/t14-,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.04E+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
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44285 ((2S)-N-[(1S)-1-(anilinocarbamoyl)-2-methyl-propyl]...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1ccccc1 Show InChI InChI=1S/C20H33N5O3/c1-12(2)16(22-18(26)14(5)21-6)19(27)23-17(13(3)4)20(28)25-24-15-10-8-7-9-11-15/h7-14,16-17,21,24H,1-6H3,(H,22,26)(H,23,27)(H,25,28)/t14-,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.56E+4	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))	BDBM44285 ((2S)-N-[(1S)-1-(anilinocarbamoyl)-2-methyl-propyl]...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1ccccc1 Show InChI InChI=1S/C20H33N5O3/c1-12(2)16(22-18(26)14(5)21-6)19(27)23-17(13(3)4)20(28)25-24-15-10-8-7-9-11-15/h7-14,16-17,21,24H,1-6H3,(H,22,26)(H,23,27)(H,25,28)/t14-,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.00E+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))	BDBM44285 ((2S)-N-[(1S)-1-(anilinocarbamoyl)-2-methyl-propyl]...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NNc1ccccc1 Show InChI InChI=1S/C20H33N5O3/c1-12(2)16(22-18(26)14(5)21-6)19(27)23-17(13(3)4)20(28)25-24-15-10-8-7-9-11-15/h7-14,16-17,21,24H,1-6H3,(H,22,26)(H,23,27)(H,25,28)/t14-,16-,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.68E+5	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