Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50030414   

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
Sialidase-2 (Homo sapiens (Human))	BDBM50295841 (4-Acetamido-5-(biphenyl-4-ylcarboxamido)-2-fluorob...) Show SMILES CC(=O)Nc1cc(F)c(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C22H17FN2O4/c1-13(26)24-20-12-18(23)17(22(28)29)11-19(20)25-21(27)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.07E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU2 transiently transfected in HEK293 cells by Line-Weaver Burk plotting				Bioorg Med Chem 17: 4595-603 (2009) Article DOI: 10.1016/j.bmc.2009.04.065 BindingDB Entry DOI: 10.7270/Q2TX3FD8
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU2 transiently transfected in HEK293T cells by fluorimetric analysis				Bioorg Med Chem 17: 4595-603 (2009) Article DOI: 10.1016/j.bmc.2009.04.065 BindingDB Entry DOI: 10.7270/Q2TX3FD8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sialidase-3 (Homo sapiens (Human))	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU3 transiently transfected in HEK293T cells by fluorimetric high-performance liquid chromatography				Bioorg Med Chem 17: 4595-603 (2009) Article DOI: 10.1016/j.bmc.2009.04.065 BindingDB Entry DOI: 10.7270/Q2TX3FD8
					More data for this Ligand-Target Pair
Sialidase-4 (Homo sapiens (Human))	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU4 transiently transfected in HEK293T cells by fluorimetric analysis				Bioorg Med Chem 17: 4595-603 (2009) Article DOI: 10.1016/j.bmc.2009.04.065 BindingDB Entry DOI: 10.7270/Q2TX3FD8
					More data for this Ligand-Target Pair
Sialidase-1 (Homo sapiens (Human))	BDBM4706 ((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...) Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7| Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.43E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU1 transiently transfected in HEK293T cells by fluorimetric analysis				Bioorg Med Chem 17: 4595-603 (2009) Article DOI: 10.1016/j.bmc.2009.04.065 BindingDB Entry DOI: 10.7270/Q2TX3FD8
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50295841 (4-Acetamido-5-(biphenyl-4-ylcarboxamido)-2-fluorob...) Show SMILES CC(=O)Nc1cc(F)c(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(O)=O Show InChI InChI=1S/C22H17FN2O4/c1-13(26)24-20-12-18(23)17(22(28)29)11-19(20)25-21(27)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,26)(H,25,27)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.52E+5	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU2 transiently transfected in HEK293 cells by fluorimetric analysis				Bioorg Med Chem 17: 4595-603 (2009) Article DOI: 10.1016/j.bmc.2009.04.065 BindingDB Entry DOI: 10.7270/Q2TX3FD8
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50295839 (4,5-Diacetamido-2-fluoro benzoic acid | CHEMBL5394...) Show SMILES CC(=O)Nc1cc(F)c(cc1NC(C)=O)C(O)=O Show InChI InChI=1S/C11H11FN2O4/c1-5(15)13-9-3-7(11(17)18)8(12)4-10(9)14-6(2)16/h3-4H,1-2H3,(H,13,15)(H,14,16)(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU2 transiently transfected in HEK293 cells by fluorimetric analysis				Bioorg Med Chem 17: 4595-603 (2009) Article DOI: 10.1016/j.bmc.2009.04.065 BindingDB Entry DOI: 10.7270/Q2TX3FD8
					More data for this Ligand-Target Pair
Sialidase-2 (Homo sapiens (Human))	BDBM50295840 (4-Acetamido-5-(2-naphthamido)-2-fluoro benzoic aci...) Show SMILES CC(=O)Nc1cc(F)c(cc1NC(=O)c1ccc2ccccc2c1)C(O)=O Show InChI InChI=1S/C20H15FN2O4/c1-11(24)22-18-10-16(21)15(20(26)27)9-17(18)23-19(25)14-7-6-12-4-2-3-5-13(12)8-14/h2-10H,1H3,(H,22,24)(H,23,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+6	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU2 transiently transfected in HEK293 cells by fluorimetric analysis				Bioorg Med Chem 17: 4595-603 (2009) Article DOI: 10.1016/j.bmc.2009.04.065 BindingDB Entry DOI: 10.7270/Q2TX3FD8
					More data for this Ligand-Target Pair
Sialidase-3 (Homo sapiens (Human))	BDBM50295839 (4,5-Diacetamido-2-fluoro benzoic acid | CHEMBL5394...) Show SMILES CC(=O)Nc1cc(F)c(cc1NC(C)=O)C(O)=O Show InChI InChI=1S/C11H11FN2O4/c1-5(15)13-9-3-7(11(17)18)8(12)4-10(9)14-6(2)16/h3-4H,1-2H3,(H,13,15)(H,14,16)(H,17,18)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Gifu University Curated by ChEMBL					Assay Description Inhibition of human NEU3 transiently transfected in HEK293 cells by fluorimetric analysis				Bioorg Med Chem 17: 4595-603 (2009) Article DOI: 10.1016/j.bmc.2009.04.065 BindingDB Entry DOI: 10.7270/Q2TX3FD8
					More data for this Ligand-Target Pair