Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Neuraminidase' and Ligand = 'BDBM50365361'   

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)	BDBM50365361 (CHEMBL4161935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H39N3O4/c1-6-21(7-2)32-23-15-19(25(30)31)14-22(24(23)27-17(5)29)26-16-18-10-12-20(13-11-18)28(8-3)9-4/h10-13,15,21-24,26H,6-9,14,16H2,1-5H3,(H,27,29)(H,30,31)/t22-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.350	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)	BDBM50365361 (CHEMBL4161935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H39N3O4/c1-6-21(7-2)32-23-15-19(25(30)31)14-22(24(23)27-17(5)29)26-16-18-10-12-20(13-11-18)28(8-3)9-4/h10-13,15,21-24,26H,6-9,14,16H2,1-5H3,(H,27,29)(H,30,31)/t22-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.490	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)	BDBM50365361 (CHEMBL4161935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H39N3O4/c1-6-21(7-2)32-23-15-19(25(30)31)14-22(24(23)27-17(5)29)26-16-18-10-12-20(13-11-18)28(8-3)9-4/h10-13,15,21-24,26H,6-9,14,16H2,1-5H3,(H,27,29)(H,30,31)/t22-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.550	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)	BDBM50365361 (CHEMBL4161935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H39N3O4/c1-6-21(7-2)32-23-15-19(25(30)31)14-22(24(23)27-17(5)29)26-16-18-10-12-20(13-11-18)28(8-3)9-4/h10-13,15,21-24,26H,6-9,14,16H2,1-5H3,(H,27,29)(H,30,31)/t22-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	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/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 (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50365361 (CHEMBL4161935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H39N3O4/c1-6-21(7-2)32-23-15-19(25(30)31)14-22(24(23)27-17(5)29)26-16-18-10-12-20(13-11-18)28(8-3)9-4/h10-13,15,21-24,26H,6-9,14,16H2,1-5H3,(H,27,29)(H,30,31)/t22-,23+,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	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)	BDBM50365361 (CHEMBL4161935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H39N3O4/c1-6-21(7-2)32-23-15-19(25(30)31)14-22(24(23)27-17(5)29)26-16-18-10-12-20(13-11-18)28(8-3)9-4/h10-13,15,21-24,26H,6-9,14,16H2,1-5H3,(H,27,29)(H,30,31)/t22-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	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/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
Neuraminidase (Influenza A virus)	BDBM50365361 (CHEMBL4161935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H39N3O4/c1-6-21(7-2)32-23-15-19(25(30)31)14-22(24(23)27-17(5)29)26-16-18-10-12-20(13-11-18)28(8-3)9-4/h10-13,15,21-24,26H,6-9,14,16H2,1-5H3,(H,27,29)(H,30,31)/t22-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	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/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)	BDBM50365361 (CHEMBL4161935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H39N3O4/c1-6-21(7-2)32-23-15-19(25(30)31)14-22(24(23)27-17(5)29)26-16-18-10-12-20(13-11-18)28(8-3)9-4/h10-13,15,21-24,26H,6-9,14,16H2,1-5H3,(H,27,29)(H,30,31)/t22-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	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/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)	BDBM50365361 (CHEMBL4161935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H39N3O4/c1-6-21(7-2)32-23-15-19(25(30)31)14-22(24(23)27-17(5)29)26-16-18-10-12-20(13-11-18)28(8-3)9-4/h10-13,15,21-24,26H,6-9,14,16H2,1-5H3,(H,27,29)(H,30,31)/t22-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	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 B virus (B/Lee/40))	BDBM50365361 (CHEMBL4161935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H39N3O4/c1-6-21(7-2)32-23-15-19(25(30)31)14-22(24(23)27-17(5)29)26-16-18-10-12-20(13-11-18)28(8-3)9-4/h10-13,15,21-24,26H,6-9,14,16H2,1-5H3,(H,27,29)(H,30,31)/t22-,23+,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of Influenza B virus neuraminidase activity using 4-MUNANA as substrate preincubated for 10 mins followed by substrate addition and measur...				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)	BDBM50365361 (CHEMBL4161935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H39N3O4/c1-6-21(7-2)32-23-15-19(25(30)31)14-22(24(23)27-17(5)29)26-16-18-10-12-20(13-11-18)28(8-3)9-4/h10-13,15,21-24,26H,6-9,14,16H2,1-5H3,(H,27,29)(H,30,31)/t22-,23+,24+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	387	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)	BDBM50365361 (CHEMBL4161935) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](NCc2ccc(cc2)N(CC)CC)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C25H39N3O4/c1-6-21(7-2)32-23-15-19(25(30)31)14-22(24(23)27-17(5)29)26-16-18-10-12-20(13-11-18)28(8-3)9-4/h10-13,15,21-24,26H,6-9,14,16H2,1-5H3,(H,27,29)(H,30,31)/t22-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	604	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 E119V mutant activity using 4-MUNANA as substrate preincubated for 10 mins foll...				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