Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 327.3 BDBM50272459

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuraminidase (Influenza A virus)	BDBM50272459 (CHEMBL2392127) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C18H17NO5/c20-15-8-6-13(11-16(15)21)7-9-17(22)19-14(18(23)24)10-12-4-2-1-3-5-12/h1-9,11,14,20-21H,10H2,(H,19,22)(H,23,24)/b9-7+/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.74E+4	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 A/duck/China/QJ/01 neuraminidase N1 using 4-MU-NANA as substrate after 5 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3556-60 (2013) Article DOI: 10.1016/j.bmcl.2013.04.033 BindingDB Entry DOI: 10.7270/Q2R78J49
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50272459 (CHEMBL2392127) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C18H17NO5/c20-15-8-6-13(11-16(15)21)7-9-17(22)19-14(18(23)24)10-12-4-2-1-3-5-12/h1-9,11,14,20-21H,10H2,(H,19,22)(H,23,24)/b9-7+/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/chicken/Sandong/Li/2008(H9N2)) neuraminidase N2 using 4-MU-NANA as substrate after 5 mins by fluorescence assay				Bioorg Med Chem Lett 23: 3556-60 (2013) Article DOI: 10.1016/j.bmcl.2013.04.033 BindingDB Entry DOI: 10.7270/Q2R78J49
					More data for this Ligand-Target Pair
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50272459 (CHEMBL2392127) Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C18H17NO5/c20-15-8-6-13(11-16(15)21)7-9-17(22)19-14(18(23)24)10-12-4-2-1-3-5-12/h1-9,11,14,20-21H,10H2,(H,19,22)(H,23,24)/b9-7+/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Tsukuba Curated by ChEMBL					Assay Description Inhibition of amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay				Bioorg Med Chem 26: 3202-3209 (2018) Article DOI: 10.1016/j.bmc.2018.04.044 BindingDB Entry DOI: 10.7270/Q2251MQ6
					More data for this Ligand-Target Pair