BDBM50016728 CHEMBL420584::Prolylprolylthreonylprolinamide(PPTPNH2)

SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1)C(=O)N1CCC[C@H]1C(N)=O

InChI Key: InChIKey=UJDHALUBFQAPDU-MRLBHPIUSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50016728   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
IgA protease (Neisseria gonorrhoeae)	BDBM50016728 (CHEMBL420584 | Prolylprolylthreonylprolinamide(PPT...) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1)C(=O)N1CCC[C@H]1C(N)=O Show InChI InChI=1S/C19H31N5O5/c1-11(25)15(19(29)23-9-3-6-13(23)16(20)26)22-17(27)14-7-4-10-24(14)18(28)12-5-2-8-21-12/h11-15,21,25H,2-10H2,1H3,(H2,20,26)(H,22,27)/t11-,12-,13+,14+,15+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/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