Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50034317   

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
Hemagglutinin (Influenza A virus (strain A/Aichi/2/1968 H3N2))	BDBM50360450 (CHEMBL1934618) Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r| Show InChI InChI=1S/C24H43NO8S/c1-3-5-6-7-8-9-10-11-12-13-14-34-24(23(31)32)15-17(27)20(25-19(29)4-2)22(33-24)21(30)18(28)16-26/h4,17-18,20-22,26-28,30H,2-3,5-16H2,1H3,(H,25,29)(H,31,32)/t17-,18+,20+,21+,22+,24-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saitama University Curated by ChEMBL					Assay Description Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) hemagglutinin activity in chicken erythrocytes after 1 hr				Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ
					More data for this Ligand-Target Pair
Hemagglutinin (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50360452 (CHEMBL1934620) Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)CCCCCNC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r| Show InChI InChI=1S/C30H54N2O9S/c1-3-5-6-7-8-9-10-11-12-16-19-42-30(29(39)40)20-22(34)26(28(41-30)27(38)23(35)21-33)32-25(37)17-14-13-15-18-31-24(36)4-2/h4,22-23,26-28,33-35,38H,2-3,5-21H2,1H3,(H,31,36)(H,32,37)(H,39,40)/t22-,23+,26+,27+,28+,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saitama University Curated by ChEMBL					Assay Description Inhibition of Human influenza virus A/PR/8/34 (H1N1) hemagglutinin activity in chicken erythrocytes after 1 hr				Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ
					More data for this Ligand-Target Pair
Hemagglutinin (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50360450 (CHEMBL1934618) Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r| Show InChI InChI=1S/C24H43NO8S/c1-3-5-6-7-8-9-10-11-12-13-14-34-24(23(31)32)15-17(27)20(25-19(29)4-2)22(33-24)21(30)18(28)16-26/h4,17-18,20-22,26-28,30H,2-3,5-16H2,1H3,(H,25,29)(H,31,32)/t17-,18+,20+,21+,22+,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saitama University Curated by ChEMBL					Assay Description Inhibition of Human influenza virus A/PR/8/34 (H1N1) hemagglutinin activity in chicken erythrocytes after 1 hr				Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ
					More data for this Ligand-Target Pair
Hemagglutinin (Influenza A virus (strain A/Aichi/2/1968 H3N2))	BDBM50360452 (CHEMBL1934620) Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)CCCCCNC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r| Show InChI InChI=1S/C30H54N2O9S/c1-3-5-6-7-8-9-10-11-12-16-19-42-30(29(39)40)20-22(34)26(28(41-30)27(38)23(35)21-33)32-25(37)17-14-13-15-18-31-24(36)4-2/h4,22-23,26-28,33-35,38H,2-3,5-21H2,1H3,(H,31,36)(H,32,37)(H,39,40)/t22-,23+,26+,27+,28+,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Saitama University Curated by ChEMBL					Assay Description Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) hemagglutinin activity in chicken erythrocytes after 1 hr				Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ
					More data for this Ligand-Target Pair
Hemagglutinin (Influenza A virus (strain A/Aichi/2/1968 H3N2))	BDBM50360451 (CHEMBL1934619) Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O |r| Show InChI InChI=1S/C12H19NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h2,5-6,8-10,14-16,18,21H,1,3-4H2,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Saitama University Curated by ChEMBL					Assay Description Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) hemagglutinin activity in chicken erythrocytes after 1 hr				Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ
					More data for this Ligand-Target Pair
Hemagglutinin (Influenza A virus (strain A/Puerto Rico/8/1934 H1N...)	BDBM50360451 (CHEMBL1934619) Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O |r| Show InChI InChI=1S/C12H19NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h2,5-6,8-10,14-16,18,21H,1,3-4H2,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Saitama University Curated by ChEMBL					Assay Description Inhibition of Human influenza virus A/PR/8/34 (H1N1) hemagglutinin activity in chicken erythrocytes after 1 hr				Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Aichi/2/1968 H3N2))	BDBM50360452 (CHEMBL1934620) Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)CCCCCNC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r| Show InChI InChI=1S/C30H54N2O9S/c1-3-5-6-7-8-9-10-11-12-16-19-42-30(29(39)40)20-22(34)26(28(41-30)27(38)23(35)21-33)32-25(37)17-14-13-15-18-31-24(36)4-2/h4,22-23,26-28,33-35,38H,2-3,5-21H2,1H3,(H,31,36)(H,32,37)(H,39,40)/t22-,23+,26+,27+,28+,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.40E+5	n/a	n/a	n/a	n/a
Saitama University Curated by ChEMBL					Assay Description Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry				Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50360450 (CHEMBL1934618) Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r| Show InChI InChI=1S/C24H43NO8S/c1-3-5-6-7-8-9-10-11-12-13-14-34-24(23(31)32)15-17(27)20(25-19(29)4-2)22(33-24)21(30)18(28)16-26/h4,17-18,20-22,26-28,30H,2-3,5-16H2,1H3,(H,25,29)(H,31,32)/t17-,18+,20+,21+,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	n/a	n/a	1.35E+6	n/a	n/a	n/a	n/a
Saitama University Curated by ChEMBL					Assay Description Inhibition of Human influenza virus A/PR/8/34 (H1N1) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry				Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50360451 (CHEMBL1934619) Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O |r| Show InChI InChI=1S/C12H19NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h2,5-6,8-10,14-16,18,21H,1,3-4H2,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.48E+6	n/a	n/a	n/a	n/a
Saitama University Curated by ChEMBL					Assay Description Inhibition of Human influenza virus A/PR/8/34 (H1N1) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry				Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50360452 (CHEMBL1934620) Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)CCCCCNC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r| Show InChI InChI=1S/C30H54N2O9S/c1-3-5-6-7-8-9-10-11-12-16-19-42-30(29(39)40)20-22(34)26(28(41-30)27(38)23(35)21-33)32-25(37)17-14-13-15-18-31-24(36)4-2/h4,22-23,26-28,33-35,38H,2-3,5-21H2,1H3,(H,31,36)(H,32,37)(H,39,40)/t22-,23+,26+,27+,28+,30-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.43E+5	n/a	n/a	n/a	n/a
Saitama University Curated by ChEMBL					Assay Description Inhibition of Human influenza virus A/PR/8/34 (H1N1) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry				Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Aichi/2/1968 H3N2))	BDBM50360450 (CHEMBL1934618) Show SMILES CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r| Show InChI InChI=1S/C24H43NO8S/c1-3-5-6-7-8-9-10-11-12-13-14-34-24(23(31)32)15-17(27)20(25-19(29)4-2)22(33-24)21(30)18(28)16-26/h4,17-18,20-22,26-28,30H,2-3,5-16H2,1H3,(H,25,29)(H,31,32)/t17-,18+,20+,21+,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	n/a	n/a	4.28E+5	n/a	n/a	n/a	n/a
Saitama University Curated by ChEMBL					Assay Description Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry				Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Aichi/2/1968 H3N2))	BDBM50360451 (CHEMBL1934619) Show SMILES OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O |r| Show InChI InChI=1S/C12H19NO9/c1-2-7(17)13-8-5(15)3-12(21,11(19)20)22-10(8)9(18)6(16)4-14/h2,5-6,8-10,14-16,18,21H,1,3-4H2,(H,13,17)(H,19,20)/t5-,6+,8+,9+,10+,12?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.08E+6	n/a	n/a	n/a	n/a
Saitama University Curated by ChEMBL					Assay Description Inhibition of Human influenza virus A/Aichi/2/68 (H3N2) neuraminidase using 4-MU-Neu5Ac as substrate after 30 mins by fluorimetry				Bioorg Med Chem 20: 446-54 (2011) Article DOI: 10.1016/j.bmc.2011.10.064 BindingDB Entry DOI: 10.7270/Q2SN09CZ
					More data for this Ligand-Target Pair