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BDBM50016716 Acetylprolylprolylthreonylprolinamide(AcPPTPNH2)::CHEMBL433318

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

InChI Key: InChIKey=AARNQLLNJKVQBF-GWFJUFKTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016716   
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)		BDBM50016716
PNG
(Acetylprolylprolylthreonylprolinamide(AcPPTPNH2) |...)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(N)=O
Show InChI InChI=1S/C21H33N5O6/c1-12(27)17(21(32)25-10-3-6-14(25)18(22)29)23-19(30)15-7-4-11-26(15)20(31)16-8-5-9-24(16)13(2)28/h12,14-17,27H,3-11H2,1-2H3,(H2,22,29)(H,23,30)/t12-,14+,15+,16-,17+/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