Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'IgA-specific serine endopeptidase autotransporter' and Ligand = 'BDBM50367750'   

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)	BDBM50367750 (CHEMBL2369561) Show SMILES C[C@@H](O)[C@H](NC(C)=O)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](CS)C(N)=O Show InChI InChI=1S/C36H57N9O12S/c1-18(47)27(38-20(3)49)35(56)45-15-7-11-26(45)34(55)43-13-5-10-25(43)32(53)41-28(19(2)48)36(57)44-14-6-9-24(44)30(51)39-21(16-46)33(54)42-12-4-8-23(42)31(52)40-22(17-58)29(37)50/h18-19,21-28,46-48,58H,4-17H2,1-3H3,(H2,37,50)(H,38,49)(H,39,51)(H,40,52)(H,41,53)/t18-,19+,21+,22+,23+,24+,25+,26+,27+,28+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.03E+6	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)	BDBM50367750 (CHEMBL2369561) Show SMILES C[C@@H](O)[C@H](NC(C)=O)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](CS)C(N)=O Show InChI InChI=1S/C36H57N9O12S/c1-18(47)27(38-20(3)49)35(56)45-15-7-11-26(45)34(55)43-13-5-10-25(43)32(53)41-28(19(2)48)36(57)44-14-6-9-24(44)30(51)39-21(16-46)33(54)42-12-4-8-23(42)31(52)40-22(17-58)29(37)50/h18-19,21-28,46-48,58H,4-17H2,1-3H3,(H2,37,50)(H,38,49)(H,39,51)(H,40,52)(H,41,53)/t18-,19+,21+,22+,23+,24+,25+,26+,27+,28+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.03E+6	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