BDBM50219994 CHEMBL56541

SMILES: [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6@H](-[#8])-[#6]-[#8]

InChI Key: InChIKey=POPUHQWPRVGZHS-NRFQWKTPSA-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 = 50219994   

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 (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50219994 (CHEMBL56541) Show SMILES [#8]-[#6](=O)C(F)(F)F.[H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8]-[#6]-[#6]-[#7]-[#6](-[#6])=O)-[#6@H](-[#8])-[#6]-[#8] |c:9| Show InChI InChI=1S/C16H27N5O8/c1-7(23)19-3-4-28-13(10(25)6-22)14-12(20-8(2)24)9(21-16(17)18)5-11(29-14)15(26)27/h5,9-10,12-14,22,25H,3-4,6H2,1-2H3,(H,19,23)(H,20,24)(H,26,27)(H4,17,18,21)/t9-,10+,12+,13+,14+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Sankyo Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of influenza A sialidase in vitro.				Bioorg Med Chem Lett 12: 1925-8 (2002) BindingDB Entry DOI: 10.7270/Q2RB76SB
					More data for this Ligand-Target Pair