Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50028523'   

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)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	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 (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01970 BindingDB Entry DOI: 10.7270/Q2F47T5V
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	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
Neuraminidase (Influenza A virus)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	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/goose/Guangdong/SH7/2013(H5N1)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins follow...				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	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)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	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/goose/Jiangsu/1306/2014(H5N8)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followe...				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	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/California/04/2009(H1N1)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by ...				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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/PuertoRico/8/1934(H1N1)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by s...				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	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/Anhui/1/2005(H5N1)) neuraminidase H274Y mutant activity using 4-MUNANA as substrate preincubated for 10 mins follo...				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	164	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/415/2013(H9N2)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed...				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/USSR/90/1977 H1N1))	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	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)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	354	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/Babol/36/2005(H3N2)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by subst...				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	389	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/Hebei/LZF/2014(H5N2)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed...				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.46E+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/Anhui/1/2013(H7N9)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by substr...				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50028523 (CHEMBL3342485) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)-c2cccs2)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H32N2O4S/c1-4-20(5-2)31-22-14-19(25(29)30)13-21(24(22)27-16(3)28)26-15-17-8-10-18(11-9-17)23-7-6-12-32-23/h6-12,14,20-22,24,26H,4-5,13,15H2,1-3H3,(H,27,28)(H,29,30)/t21-,22+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.87E+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/Guangdong/674/2014(H5N6)) neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followe...				J Med Chem 61: 6379-6397 (2018) Article DOI: 10.1021/acs.jmedchem.8b00929 BindingDB Entry DOI: 10.7270/Q2H41V0C
					More data for this Ligand-Target Pair