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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'IgA-specific serine endopeptidase autotransporter' and Ligand = 'BDBM50016729'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
IgA-specific serine endopeptidase autotransporter


(Neisseria gonorrhoeae)		BDBM50016729
PNG
(1-[1-(2-Acetylamino-3-hydroxy-butyryl)-pyrrolidine...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)O)C(N)=O
Show InChI InChI=1S/C20H33N5O7/c1-10(26)15(17(21)29)23-18(30)13-6-4-8-24(13)19(31)14-7-5-9-25(14)20(32)16(11(2)27)22-12(3)28/h10-11,13-16,26-27H,4-9H2,1-3H3,(H2,21,29)(H,22,28)(H,23,30)/t10-,11-,13-,14+,15+,16+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/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