BDBM50037551 CHEMBL3357210

SMILES: CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=PHCJTEBVRGPKRU-IPMKNSEASA-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 = 50037551   

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/USSR/90/1977 H1N1))	BDBM50037551 (CHEMBL3357210) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NS(=O)(=O)c1ccccc1 |r,c:7| Show InChI InChI=1S/C20H29N3O5S/c1-4-15(5-2)28-18-12-14(11-17(21)19(18)22-13(3)24)20(25)23-29(26,27)16-9-7-6-8-10-16/h6-10,12,15,17-19H,4-5,11,21H2,1-3H3,(H,22,24)(H,23,25)/t17-,18+,19+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	574	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Influenza A virus A/WSN/1933(H1N1) neuraminidase using 2-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid after 15 mins by fluore...				Bioorg Med Chem 22: 6647-54 (2015) Article DOI: 10.1016/j.bmc.2014.10.005 BindingDB Entry DOI: 10.7270/Q27D2WR9
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