Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'IgA-specific serine endopeptidase autotransporter' and Ligand = 'BDBM50016712'   

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)	BDBM50016712 (1-{3-Hydroxy-2-[(pyrrolidine-2-carbonyl)-amino]-bu...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C17H29N5O6/c1-9(24)13(21-15(26)10-4-2-6-19-10)17(28)22-7-3-5-12(22)16(27)20-11(8-23)14(18)25/h9-13,19,23-24H,2-8H2,1H3,(H2,18,25)(H,20,27)(H,21,26)/t9-,10-,11+,12-,13+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.30E+3	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
					More data for this Ligand-Target Pair