null

SMILES: CCC(CC)O[C@@H]1C=C([C@@H]([C@H](NC(N)=N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O

InChI Key: InChIKey=ANCDXOXUNZPPDW-FVAVCCDCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50365357   

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/Memphis/1/1971 H3N2))	BDBM50365357 (CHEMBL4168935) Show SMILES CCC(CC)O[C@@H]1C=C([C@@H]([C@H](NC(N)=N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7| Show InChI InChI=1S/C20H33N7O5/c1-5-11(6-2)32-15-8-12(19(30)31)18(27-9-13(25-26-27)14(29)7-3)17(24-20(21)22)16(15)23-10(4)28/h8-9,11,14-18,29H,5-7H2,1-4H3,(H,23,28)(H,30,31)(H4,21,22,24)/t14?,15-,16+,17-,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (H3N2) neuraminidase activity				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50365357 (CHEMBL4168935) Show SMILES CCC(CC)O[C@@H]1C=C([C@@H]([C@H](NC(N)=N)[C@H]1NC(C)=O)n1cc(nn1)C(O)CC)C(O)=O |r,c:7| Show InChI InChI=1S/C20H33N7O5/c1-5-11(6-2)32-15-8-12(19(30)31)18(27-9-13(25-26-27)14(29)7-3)17(24-20(21)22)16(15)23-10(4)28/h8-9,11,14-18,29H,5-7H2,1-4H3,(H,23,28)(H,30,31)(H4,21,22,24)/t14?,15-,16+,17-,18+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (H1N1) neuraminidase activity				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair