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BDBM50016724 2-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]-3-hydroxy-butyryl}-pyrrolidine-2-carbonyl)-amino]-3-hydroxy-propionic acid::CHEMBL309191

SMILES: C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(O)=O

InChI Key: InChIKey=ABLYCAFLZJEXOG-RCSLCFTFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016724   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
IgA protease


(Neisseria gonorrhoeae)		BDBM50016724
PNG
(2-[(1-{2-[(1-Acetyl-pyrrolidine-2-carbonyl)-amino]...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CCCN1C(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C19H30N4O8/c1-10(25)15(21-17(28)13-5-3-7-22(13)11(2)26)18(29)23-8-4-6-14(23)16(27)20-12(9-24)19(30)31/h10,12-15,24-25H,3-9H2,1-2H3,(H,20,27)(H,21,28)(H,30,31)/t10-,12+,13-,14-,15+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.38E+4n/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