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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 = 'BDBM50016711'   
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)		BDBM50016711
PNG
(1-[1-(2-Amino-3-hydroxy-butyryl)-pyrrolidine-2-car...)
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(N)=O
Show InChI InChI=1S/C18H31N5O6/c1-9(24)13(19)18(29)23-8-4-6-12(23)17(28)22-7-3-5-11(22)16(27)21-14(10(2)25)15(20)26/h9-14,24-25H,3-8,19H2,1-2H3,(H2,20,26)(H,21,27)/t9-,10-,11-,12+,13+,14+/m1/s1
KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 4.19E+5n/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