Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 607.5 BDBM50486062

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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...)	BDBM50486062 (CHEMBL2205838) 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)\C=C\c1ccc2OCOc2c1)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C26H33N5O12/c1-13(33)30-21-15(31-25(27)28)10-19(24(36)37)42-23(21)22(16(34)11-32)43-26(38)29-7-2-8-39-20(35)6-4-14-3-5-17-18(9-14)41-12-40-17/h3-6,9-10,15-16,21-23,32,34H,2,7-8,11-12H2,1H3,(H,29,38)(H,30,33)(H,36,37)(H4,27,28,31)/b6-4+/t15-,16+,21+,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	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