Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM4955'   

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 B virus)	BDBM4955 ((2R,3R,4S)-4-amino-2-{[2-(dimethylamino)ethyl](2-p...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCN(C)C)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C21H30N4O5/c1-14(26)23-18-16(22)13-17(21(28)29)30-19(18)20(27)25(12-11-24(2)3)10-9-15-7-5-4-6-8-15/h4-8,13,16,18-19H,9-12,22H2,1-3H3,(H,23,26)(H,28,29)/t16-,18+,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Singapore/1/57(H2N2)))	BDBM4955 ((2R,3R,4S)-4-amino-2-{[2-(dimethylamino)ethyl](2-p...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCN(C)C)CCc1ccccc1 |r,c:3| Show InChI InChI=1S/C21H30N4O5/c1-14(26)23-18-16(22)13-17(21(28)29)30-19(18)20(27)25(12-11-24(2)3)10-9-15-7-5-4-6-8-15/h4-8,13,16,18-19H,9-12,22H2,1-3H3,(H,23,26)(H,28,29)/t16-,18+,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Limited					Assay Description A standard fluorimetric assay was used to measure influenza virus neuraminidase activity. The substrate 2 -(4-methylumbelliferyl)-alpha-D-acetylneura...				J Med Chem 41: 787-97 (1998) Article DOI: 10.1021/jm970374b BindingDB Entry DOI: 10.7270/Q2RF5S7G
					More data for this Ligand-Target Pair