Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM4961'   

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 (A/Singapore/1/57(H2N2)))	BDBM4961 ((2R,3R,4S)-4-amino-2-[cyclopropyl(2-phenylethyl)ca...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)C1CC1 |r,c:3| Show InChI InChI=1S/C20H25N3O5/c1-12(24)22-17-15(21)11-16(20(26)27)28-18(17)19(25)23(14-7-8-14)10-9-13-5-3-2-4-6-13/h2-6,11,14-15,17-18H,7-10,21H2,1H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	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 B virus)	BDBM4961 ((2R,3R,4S)-4-amino-2-[cyclopropyl(2-phenylethyl)ca...) Show SMILES [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)C1CC1 |r,c:3| Show InChI InChI=1S/C20H25N3O5/c1-12(24)22-17-15(21)11-16(20(26)27)28-18(17)19(25)23(14-7-8-14)10-9-13-5-3-2-4-6-13/h2-6,11,14-15,17-18H,7-10,21H2,1H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+4	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