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

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 = 50016731   

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)	BDBM50016731 (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 AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.31E+7	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