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BDBM50016721 Acetylprolylthreonylprolylserinamide(AcPTPSNH2)::CHEMBL78746

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(N)=O

InChI Key: InChIKey=RFIFVRQZNDKAOZ-RCSLCFTFSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016721   
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)		BDBM50016721
PNG
(Acetylprolylthreonylprolylserinamide(AcPTPSNH2) | ...)
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(N)=O
Show InChI InChI=1S/C19H31N5O7/c1-10(26)15(22-18(30)13-5-3-7-23(13)11(2)27)19(31)24-8-4-6-14(24)17(29)21-12(9-25)16(20)28/h10,12-15,25-26H,3-9H2,1-2H3,(H2,20,28)(H,21,29)(H,22,30)/t10-,12+,13-,14-,15+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a>1.00E+6n/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