Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'IgA-specific serine endopeptidase autotransporter' and Ligand = 'BDBM50367753'   

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)	BDBM50367753 (CHEMBL2369569) 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(N)=O Show InChI InChI=1S/C34H55N9O12/c1-17(46)25(35)33(54)43-14-6-10-24(43)32(53)41-12-4-9-23(41)30(51)39-26(18(2)47)34(55)42-13-5-8-22(42)29(50)38-20(16-45)31(52)40-11-3-7-21(40)28(49)37-19(15-44)27(36)48/h17-26,44-47H,3-16,35H2,1-2H3,(H2,36,48)(H,37,49)(H,38,50)(H,39,51)/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	4.00E+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)	BDBM50367753 (CHEMBL2369569) 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(N)=O Show InChI InChI=1S/C34H55N9O12/c1-17(46)25(35)33(54)43-14-6-10-24(43)32(53)41-12-4-9-23(41)30(51)39-26(18(2)47)34(55)42-13-5-8-22(42)29(50)38-20(16-45)31(52)40-11-3-7-21(40)28(49)37-19(15-44)27(36)48/h17-26,44-47H,3-16,35H2,1-2H3,(H2,36,48)(H,37,49)(H,38,50)(H,39,51)/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	4.00E+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