Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'IgA-specific serine endopeptidase autotransporter' and Ligand = 'BDBM50016720'   

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)	BDBM50016720 (3-Hydroxy-2-[(1-{3-hydroxy-2-[(pyrrolidine-2-carbo...) Show SMILES OC[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H]1CCCN1)C(O)=O Show InChI InChI=1S/C16H26N4O7/c21-7-10(18-13(23)9-3-1-5-17-9)15(25)20-6-2-4-12(20)14(24)19-11(8-22)16(26)27/h9-12,17,21-22H,1-8H2,(H,18,23)(H,19,24)(H,26,27)/t9-,10+,11+,12-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Curated by ChEMBL					Assay Description Inhibitory concentration against type 1 IgA1 proteinases secreted by Neisseria gonorrhoeae				J Med Chem 32: 2407-11 (1989) BindingDB Entry DOI: 10.7270/Q2R210B0
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