Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'IgA-specific serine endopeptidase autotransporter' and Ligand = 'BDBM50367754'   

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
IgA-specific serine endopeptidase autotransporter (Neisseria gonorrhoeae)	BDBM50367754 (CHEMBL2369558) Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C34H54N8O13/c1-17(45)25(35)32(52)42-14-6-10-24(42)31(51)40-12-4-9-23(40)29(49)38-26(18(2)46)33(53)41-13-5-8-22(41)27(47)36-19(15-43)30(50)39-11-3-7-21(39)28(48)37-20(16-44)34(54)55/h17-26,43-46H,3-16,35H2,1-2H3,(H,36,47)(H,37,48)(H,38,49)(H,54,55)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,26+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Tested for inhibitory activity against IgA1 proteinase				J Med Chem 31: 1647-51 (1988) BindingDB Entry DOI: 10.7270/Q2S46SKJ
					More data for this Ligand-Target Pair
IgA-specific serine endopeptidase autotransporter (Neisseria gonorrhoeae)	BDBM50367754 (CHEMBL2369558) Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O Show InChI InChI=1S/C34H54N8O13/c1-17(45)25(35)32(52)42-14-6-10-24(42)31(51)40-12-4-9-23(40)29(49)38-26(18(2)46)33(53)41-13-5-8-22(41)27(47)36-19(15-43)30(50)39-11-3-7-21(39)28(48)37-20(16-44)34(54)55/h17-26,43-46H,3-16,35H2,1-2H3,(H,36,47)(H,37,48)(H,38,49)(H,54,55)/t17-,18+,19+,20+,21+,22+,23+,24+,25+,26+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Tested for inhibitory activity against IgA1 proteinase				J Med Chem 31: 1647-51 (1988) BindingDB Entry DOI: 10.7270/Q2S46SKJ
					More data for this Ligand-Target Pair