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BDBM50016731 1-(2-{[1-(2-Amino-3-hydroxy-butyryl)-pyrrolidine-2-carbonyl]-amino}-3-hydroxy-propionyl)-pyrrolidine-2-carboxylic acid::CHEMBL309520

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

InChI Key: InChIKey=RTHIXWGHVPOICE-MOLYVOAJSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016731   
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)
BDBM50016731
PNG
(1-(2-{[1-(2-Amino-3-hydroxy-butyryl)-pyrrolidine-2...)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C17H28N4O7/c1-9(23)13(18)16(26)20-6-2-4-11(20)14(24)19-10(8-22)15(25)21-7-3-5-12(21)17(27)28/h9-13,22-23H,2-8,18H2,1H3,(H,19,24)(H,27,28)/t9-,10+,11+,12+,13+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.31E+7n/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)


Article DOI: 10.1021/jm00130a030
BindingDB Entry DOI: 10.7270/Q2R210B0
More data for this
Ligand-Target Pair