BDBM50486064 CHEMBL2205840

SMILES: [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCOC(=O)c1ccc2ccccc2c1O)[C@H](O)CO

InChI Key: InChIKey=QNNZFROFTUUJFL-QAFZHGILSA-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 = 50486064   

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
Neuraminidase (Influenza A virus (strain A/Wilson-Smith/1933 H1N1...)	BDBM50486064 (CHEMBL2205840) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OC(=O)NCCCOC(=O)c1ccc2ccccc2c1O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C27H33N5O11/c1-13(34)31-20-17(32-26(28)29)11-19(24(37)38)42-23(20)22(18(35)12-33)43-27(40)30-9-4-10-41-25(39)16-8-7-14-5-2-3-6-15(14)21(16)36/h2-3,5-8,11,17-18,20,22-23,33,35-36H,4,9-10,12H2,1H3,(H,30,40)(H,31,34)(H,37,38)(H4,28,29,32)/t17-,18+,20+,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/WSN/1933(H1N1)) neuraminidase in the presence of 2'-(4-methyl-umbelliferyl)-alphaD-N-acetylneuraminic acid substrat...				J Med Chem 55: 8493-501 (2012) Article DOI: 10.1021/jm3009844 BindingDB Entry DOI: 10.7270/Q21V5HTD
					More data for this Ligand-Target Pair