Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase XIAP' and Ligand = 'BDBM44336'   

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))	BDBM44336 ((2S)-N-isoquinolin-1-yl-1-[(2S)-3-methyl-2-[[(2S)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1nccc2ccccc12 Show InChI InChI=1S/C23H31N5O3/c1-14(2)19(26-21(29)15(3)24-4)23(31)28-13-7-10-18(28)22(30)27-20-17-9-6-5-8-16(17)11-12-25-20/h5-6,8-9,11-12,14-15,18-19,24H,7,10,13H2,1-4H3,(H,26,29)(H,25,27,30)/t15-,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+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
E3 ubiquitin-protein ligase XIAP (Homo sapiens (Human))	BDBM44336 ((2S)-N-isoquinolin-1-yl-1-[(2S)-3-methyl-2-[[(2S)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1nccc2ccccc12 Show InChI InChI=1S/C23H31N5O3/c1-14(2)19(26-21(29)15(3)24-4)23(31)28-13-7-10-18(28)22(30)27-20-17-9-6-5-8-16(17)11-12-25-20/h5-6,8-9,11-12,14-15,18-19,24H,7,10,13H2,1-4H3,(H,26,29)(H,25,27,30)/t15-,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.07E+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 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))	BDBM44336 ((2S)-N-isoquinolin-1-yl-1-[(2S)-3-methyl-2-[[(2S)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1nccc2ccccc12 Show InChI InChI=1S/C23H31N5O3/c1-14(2)19(26-21(29)15(3)24-4)23(31)28-13-7-10-18(28)22(30)27-20-17-9-6-5-8-16(17)11-12-25-20/h5-6,8-9,11-12,14-15,18-19,24H,7,10,13H2,1-4H3,(H,26,29)(H,25,27,30)/t15-,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.10E+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))	BDBM44336 ((2S)-N-isoquinolin-1-yl-1-[(2S)-3-methyl-2-[[(2S)-...) Show SMILES CN[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1nccc2ccccc12 Show InChI InChI=1S/C23H31N5O3/c1-14(2)19(26-21(29)15(3)24-4)23(31)28-13-7-10-18(28)22(30)27-20-17-9-6-5-8-16(17)11-12-25-20/h5-6,8-9,11-12,14-15,18-19,24H,7,10,13H2,1-4H3,(H,26,29)(H,25,27,30)/t15-,18-,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.05E+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