Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50001969   

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/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451267 (CHEMBL4204078) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ncccn2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C28H27N5O4/c1-35-26-12-19(15-31-7-9-32(10-8-31)28-29-4-2-5-30-28)20-13-23-21-14-25-24(36-17-37-25)11-18(21)3-6-33(23)16-22(20)27(26)34/h2,4-5,11-14,16H,3,6-10,15,17H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451253 (CHEMBL4214358) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccccn2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C29H28N4O4/c1-35-27-13-20(16-31-8-10-32(11-9-31)28-4-2-3-6-30-28)21-14-24-22-15-26-25(36-18-37-26)12-19(22)5-7-33(24)17-23(21)29(27)34/h2-4,6,12-15,17H,5,7-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451268 (CHEMBL4216355) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc3ccccc3c2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C34H31N3O4/c1-39-33-16-25(19-35-10-12-36(13-11-35)26-7-6-22-4-2-3-5-23(22)14-26)27-17-30-28-18-32-31(40-21-41-32)15-24(28)8-9-37(30)20-29(27)34(33)38/h2-7,14-18,20H,8-13,19,21H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451256 (CHEMBL4212214) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2cccc(Cl)c2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H28ClN3O4/c1-36-29-12-20(16-32-7-9-33(10-8-32)22-4-2-3-21(31)13-22)23-14-26-24-15-28-27(37-18-38-28)11-19(24)5-6-34(26)17-25(23)30(29)35/h2-4,11-15,17H,5-10,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451273 (CHEMBL4212028) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(C)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C31H31N3O4/c1-20-3-5-23(6-4-20)33-11-9-32(10-12-33)17-22-14-30(36-2)31(35)26-18-34-8-7-21-13-28-29(38-19-37-28)16-25(21)27(34)15-24(22)26/h3-6,13-16,18H,7-12,17,19H2,1-2H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451264 (CHEMBL4217558) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2cccc(Cl)c2Cl)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H27Cl2N3O4/c1-37-28-12-19(15-33-7-9-34(10-8-33)24-4-2-3-23(31)29(24)32)20-13-25-21-14-27-26(38-17-39-27)11-18(21)5-6-35(25)16-22(20)30(28)36/h2-4,11-14,16H,5-10,15,17H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451252 (CHEMBL4206473) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(F)cc2F)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H27F2N3O4/c1-37-29-11-19(15-33-6-8-34(9-7-33)25-3-2-20(31)12-24(25)32)21-13-26-22-14-28-27(38-17-39-28)10-18(22)4-5-35(26)16-23(21)30(29)36/h2-3,10-14,16H,4-9,15,17H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451265 (CHEMBL4203463) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(C)cc2C)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C32H33N3O4/c1-20-4-5-27(21(2)12-20)34-10-8-33(9-11-34)17-23-14-31(37-3)32(36)26-18-35-7-6-22-13-29-30(39-19-38-29)16-25(22)28(35)15-24(23)26/h4-5,12-16,18H,6-11,17,19H2,1-3H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451258 (CHEMBL4214276) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(F)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H28FN3O4/c1-36-29-13-20(16-32-8-10-33(11-9-32)22-4-2-21(31)3-5-22)23-14-26-24-15-28-27(37-18-38-28)12-19(24)6-7-34(26)17-25(23)30(29)35/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451254 (CHEMBL3233169) Show SMILES [Cl-].COc1cc(CN2CCOCC2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C24H24N2O5/c1-28-23-9-16(12-25-4-6-29-7-5-25)17-10-20-18-11-22-21(30-14-31-22)8-15(18)2-3-26(20)13-19(17)24(23)27/h8-11,13H,2-7,12,14H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451270 (CHEMBL4205600) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)C(c2ccccc2)c2ccccc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C37H35N3O4/c1-42-35-19-28(22-38-14-16-39(17-15-38)36(25-8-4-2-5-9-25)26-10-6-3-7-11-26)29-20-32-30-21-34-33(43-24-44-34)18-27(30)12-13-40(32)23-31(29)37(35)41/h2-11,18-21,23,36H,12-17,22,24H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451272 (CHEMBL4212505) Show SMILES [Cl-].COc1cc(Cn2c3ccccc3c3ccccc23)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C32H24N2O4/c1-36-31-13-20(16-34-26-8-4-2-6-21(26)22-7-3-5-9-27(22)34)23-14-28-24-15-30-29(37-18-38-30)12-19(24)10-11-33(28)17-25(23)32(31)35/h2-9,12-15,17H,10-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451260 (CHEMBL4208751) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(OC(F)(F)F)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C31H28F3N3O5/c1-39-29-13-20(16-35-8-10-36(11-9-35)21-2-4-22(5-3-21)42-31(32,33)34)23-14-26-24-15-28-27(40-18-41-28)12-19(24)6-7-37(26)17-25(23)30(29)38/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451269 (CHEMBL4213528) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)C(=O)c2ccccc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C31H29N3O5/c1-37-29-14-22(17-32-9-11-33(12-10-32)31(36)20-5-3-2-4-6-20)23-15-26-24-16-28-27(38-19-39-28)13-21(24)7-8-34(26)18-25(23)30(29)35/h2-6,13-16,18H,7-12,17,19H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451271 (CHEMBL3233166) Show SMILES [Cl-].COc1cc(CN2CCCCC2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C25H26N2O4/c1-29-24-10-17(13-26-6-3-2-4-7-26)18-11-21-19-12-23-22(30-15-31-23)9-16(19)5-8-27(21)14-20(18)25(24)28/h9-12,14H,2-8,13,15H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451257 (CHEMBL4204709) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(Cl)cc2)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H28ClN3O4/c1-36-29-13-20(16-32-8-10-33(11-9-32)22-4-2-21(31)3-5-22)23-14-26-24-15-28-27(37-18-38-28)12-19(24)6-7-34(26)17-25(23)30(29)35/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451263 (CHEMBL4218077) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H28N4O6/c1-38-29-13-20(16-31-8-10-32(11-9-31)21-2-4-22(5-3-21)34(36)37)23-14-26-24-15-28-27(39-18-40-28)12-19(24)6-7-33(26)17-25(23)30(29)35/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451262 (CHEMBL4213151) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccccc2[N+]([O-])=O)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H28N4O6/c1-38-29-13-20(16-31-8-10-32(11-9-31)24-4-2-3-5-25(24)34(36)37)21-14-26-22-15-28-27(39-18-40-28)12-19(22)6-7-33(26)17-23(21)30(29)35/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451261 (CHEMBL4213691) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C31H28F3N3O4/c1-39-29-13-20(16-35-8-10-36(11-9-35)22-4-2-21(3-5-22)31(32,33)34)23-14-26-24-15-28-27(40-18-41-28)12-19(24)6-7-37(26)17-25(23)30(29)38/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451266 (CHEMBL4208324) Show SMILES [Cl-].COc1ccc(N2CCN(Cc3cc(OC)c(O)c4c[n+]5CCc6cc7OCOc7cc6-c5cc34)CC2)c(OC)c1 Show InChI InChI=1S/C32H33N3O6/c1-37-22-4-5-26(28(14-22)38-2)34-10-8-33(9-11-34)17-21-13-31(39-3)32(36)25-18-35-7-6-20-12-29-30(41-19-40-29)16-24(20)27(35)15-23(21)25/h4-5,12-16,18H,6-11,17,19H2,1-3H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451255 (CHEMBL4207148) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccccc2Cl)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H28ClN3O4/c1-36-29-13-20(16-32-8-10-33(11-9-32)25-5-3-2-4-24(25)31)21-14-26-22-15-28-27(37-18-38-28)12-19(22)6-7-34(26)17-23(21)30(29)35/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50451259 (CHEMBL4209293) Show SMILES [Cl-].COc1cc(CN2CCN(CC2)c2ccccc2F)c2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1O Show InChI InChI=1S/C30H28FN3O4/c1-36-29-13-20(16-32-8-10-33(11-9-32)25-5-3-2-4-24(25)31)21-14-26-22-15-28-27(37-18-38-28)12-19(22)6-7-34(26)17-23(21)30(29)35/h2-5,12-15,17H,6-11,16,18H2,1H3/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50203126 (3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Konkuk University Curated by ChEMBL					Assay Description Inhibition of neuraminidase in influenza A virus (A/Puerto Rico/8/1934(H1N1)) pre-incubated for 30 mins before NA-Star substrate addition for 30 mins...				Bioorg Med Chem 25: 5185-5193 (2017) Article DOI: 10.1016/j.bmc.2017.07.006 BindingDB Entry DOI: 10.7270/Q2BG2RK1
					More data for this Ligand-Target Pair