BDBM50097650 (4S,5R,6R)-5-Acetylamino-4-hydroxy-6-(phenethyl-propyl-carbamoyl)-5,6-dihydro-4H-pyran-2-carboxylic acid::CHEMBL162413

SMILES: CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O

InChI Key: InChIKey=BBDDLPOYPXNOTL-CGTJXYLNSA-N

Data: 2 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 2 hits for monomerid = 50097650   

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 B (Influenza B virus (B/Lee/40))	BDBM50097650 ((4S,5R,6R)-5-Acetylamino-4-hydroxy-6-(phenethyl-pr...) Show SMILES CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O |c:17| Show InChI InChI=1S/C20H26N2O6/c1-3-10-22(11-9-14-7-5-4-6-8-14)19(25)18-17(21-13(2)23)15(24)12-16(28-18)20(26)27/h4-8,12,15,17-18,24H,3,9-11H2,1-2H3,(H,21,23)(H,26,27)/t15-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against influenza B sialidase (Victoria)				Bioorg Med Chem Lett 11: 669-73 (2001) BindingDB Entry DOI: 10.7270/Q26M37CN
					More data for this Ligand-Target Pair
Neuraminidase A (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50097650 ((4S,5R,6R)-5-Acetylamino-4-hydroxy-6-(phenethyl-pr...) Show SMILES CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O |c:17| Show InChI InChI=1S/C20H26N2O6/c1-3-10-22(11-9-14-7-5-4-6-8-14)19(25)18-17(21-13(2)23)15(24)12-16(28-18)20(26)27/h4-8,12,15,17-18,24H,3,9-11H2,1-2H3,(H,21,23)(H,26,27)/t15-,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Medicines Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against influenza A sialidase (Aichi)				Bioorg Med Chem Lett 11: 669-73 (2001) BindingDB Entry DOI: 10.7270/Q26M37CN
					More data for this Ligand-Target Pair