BDBM50219993 CHEMBL57651

SMILES: OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCCO)[C@H](O)CO

InChI Key: InChIKey=TVSOJIWGIIYBFW-RULNCXCMSA-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 = 50219993   

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(...)	BDBM50219993 (CHEMBL57651) Show SMILES OC(=O)C(F)(F)F.[H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(O)=O)[C@H](OCCO)[C@H](O)CO |c:9| Show InChI InChI=1S/C14H24N4O8/c1-6(21)17-10-7(18-14(15)16)4-9(13(23)24)26-12(10)11(8(22)5-20)25-3-2-19/h4,7-8,10-12,19-20,22H,2-3,5H2,1H3,(H,17,21)(H,23,24)(H4,15,16,18)/t7-,8+,10+,11+,12+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	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