Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 416.5 BDBM50028486

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

Found 4 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)	BDBM50028486 (CHEMBL3341765) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1ccccc1)C(N)=N)C(O)=O |r,c:7| Show InChI InChI=1S/C22H32N4O4/c1-4-17(5-2)30-19-12-16(21(28)29)11-18(20(19)25-14(3)27)26(22(23)24)13-15-9-7-6-8-10-15/h6-10,12,17-20H,4-5,11,13H2,1-3H3,(H3,23,24)(H,25,27)(H,28,29)/t18-,19+,20+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+3	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/china/1220/2012(H5N1) Neuraminidase N1				J Med Chem 57: 8445-58 (2014) Article DOI: 10.1021/jm500892k BindingDB Entry DOI: 10.7270/Q2Z039QK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50028486 (CHEMBL3341765) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1ccccc1)C(N)=N)C(O)=O |r,c:7| Show InChI InChI=1S/C22H32N4O4/c1-4-17(5-2)30-19-12-16(21(28)29)11-18(20(19)25-14(3)27)26(22(23)24)13-15-9-7-6-8-10-15/h6-10,12,17-20H,4-5,11,13H2,1-3H3,(H3,23,24)(H,25,27)(H,28,29)/t18-,19+,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.64E+3	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/shandong/S2/02(H9N2) Neuraminidase				J Med Chem 57: 8445-58 (2014) Article DOI: 10.1021/jm500892k BindingDB Entry DOI: 10.7270/Q2Z039QK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50028486 (CHEMBL3341765) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1ccccc1)C(N)=N)C(O)=O |r,c:7| Show InChI InChI=1S/C22H32N4O4/c1-4-17(5-2)30-19-12-16(21(28)29)11-18(20(19)25-14(3)27)26(22(23)24)13-15-9-7-6-8-10-15/h6-10,12,17-20H,4-5,11,13H2,1-3H3,(H3,23,24)(H,25,27)(H,28,29)/t18-,19+,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	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/duck/china/QJ/01(H5N1) Neuraminidase				J Med Chem 57: 8445-58 (2014) Article DOI: 10.1021/jm500892k BindingDB Entry DOI: 10.7270/Q2Z039QK
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50028486 (CHEMBL3341765) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(C)=O)N(Cc1ccccc1)C(N)=N)C(O)=O |r,c:7| Show InChI InChI=1S/C22H32N4O4/c1-4-17(5-2)30-19-12-16(21(28)29)11-18(20(19)25-14(3)27)26(22(23)24)13-15-9-7-6-8-10-15/h6-10,12,17-20H,4-5,11,13H2,1-3H3,(H3,23,24)(H,25,27)(H,28,29)/t18-,19+,20+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.02E+3	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/duck/china/1206/2012(H5N1) Neuraminidase				J Med Chem 57: 8445-58 (2014) Article DOI: 10.1021/jm500892k BindingDB Entry DOI: 10.7270/Q2Z039QK
					More data for this Ligand-Target Pair