BDBM50359308 CHEMBL1928608

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

InChI Key: InChIKey=LUBKBQAAWUOYOW-CKIKVBCHSA-N

Data: 1 KI  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 2 hits for monomerid = 50359308   

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/Brevig Mission/1/1918 ...)	BDBM50359308 (CHEMBL1928608) Show SMILES CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](N)C[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C14H26N2O4/c1-4-8(5-2)12(16-7(3)17)11-10(15)6-9(13(11)18)14(19)20/h8-13,18H,4-6,15H2,1-3H3,(H,16,17)(H,19,20)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...				Bioorg Med Chem Lett 21: 7137-41 (2011) Article DOI: 10.1016/j.bmcl.2011.09.076 BindingDB Entry DOI: 10.7270/Q2WW7J4Q
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Brevig Mission/1/1918 ...)	BDBM50359308 (CHEMBL1928608) Show SMILES CCC(CC)[C@H](NC(C)=O)[C@H]1[C@H](N)C[C@@H]([C@H]1O)C(O)=O |r| Show InChI InChI=1S/C14H26N2O4/c1-4-8(5-2)12(16-7(3)17)11-10(15)6-9(13(11)18)14(19)20/h8-13,18H,4-6,15H2,1-3H3,(H,16,17)(H,19,20)/t9-,10+,11+,12-,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	17.7	n/a	n/a	n/a	n/a	n/a	n/a
University of Victoria Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant soluble neuraminidase using 2'-4(methylumbelliferyl)-alpha-D-N-acetylneur...				Bioorg Med Chem Lett 21: 7137-41 (2011) Article DOI: 10.1016/j.bmcl.2011.09.076 BindingDB Entry DOI: 10.7270/Q2WW7J4Q
					More data for this Ligand-Target Pair