Compile Data Set for Download or QSAR

Found 105 hits with Last Name = 'xiu' and Initial = 's'   

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
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50422743 (CHEMBL5275219) Show SMILES CCCCCCCn1c(O)c([nH]c1=S)-c1ccccc1 Show InChI InChI=1S/C16H22N2OS/c1-2-3-4-5-9-12-18-15(19)14(17-16(18)20)13-10-7-6-8-11-13/h6-8,10-11,19H,2-5,9,12H2,1H3,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50233798 (CHEMBL398940 | N-(2-aminoethyl)-1-aziridine-ethana...) Show SMILES NCCNCCN1CC1 Show InChI InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		4.59E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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Procathepsin L (Homo sapiens (Human))	BDBM50552672 (CHEMBL4790628) Show SMILES CC(C)(C)[C@H](NC(=O)[C@H](CCONC(N)=N)NC(=O)Cc1ccc(CNC(N)=N)cc1)C(=O)N[C@@H](CCONC(N)=N)C(=O)NCc1ccc(cc1)C(N)=N |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0	n/a	n/a	n/a	n/a	n/a	n/a
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Procathepsin L (Homo sapiens (Human))	BDBM50229129 (4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
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Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50421866 (CHEMBL5281591) Show SMILES COc1cc(C)c2cc(Cc3cnc(N)nc3N)cc(C)c2n1 Show InChI InChI=1S/C17H19N5O/c1-9-5-14(23-3)21-15-10(2)4-11(7-13(9)15)6-12-8-20-17(19)22-16(12)18/h4-5,7-8H,6H2,1-3H3,(H4,18,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
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Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50421871 (CHEMBL5273921) Show SMILES COc1cc(C)c2ccc(Cc3cnc(N)nc3N)cc2n1 Show InChI InChI=1S/C16H17N5O/c1-9-5-14(22-2)20-13-7-10(3-4-12(9)13)6-11-8-19-16(18)21-15(11)17/h3-5,7-8H,6H2,1-2H3,(H4,17,18,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
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Procathepsin L (Homo sapiens (Human))	BDBM50073850 ((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C=O |r| Show InChI InChI=1S/C22H26N2O4/c1-16(2)20(24-22(27)28-15-18-11-7-4-8-12-18)21(26)23-19(14-25)13-17-9-5-3-6-10-17/h3-12,14,16,19-20H,13,15H2,1-2H3,(H,23,26)(H,24,27)/t19?,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
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Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50421869 (CHEMBL5277148) Show SMILES CN(C)c1cc(C)c2cc(Cc3cnc(N)nc3N)ccc2n1 Show InChI InChI=1S/C17H20N6/c1-10-6-15(23(2)3)21-14-5-4-11(8-13(10)14)7-12-9-20-17(19)22-16(12)18/h4-6,8-9H,7H2,1-3H3,(H4,18,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
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Procathepsin L (Homo sapiens (Human))	BDBM51395 (CHEMBL263634 | N-[(2S)-1-[[[2-(3,4-dihydro-2H-quin...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)OCC(=O)N1CCCc2ccccc12 Show InChI InChI=1S/C28H33N5O6/c1-28(2,3)39-26(36)30-22(15-19-16-29-21-12-6-5-11-20(19)21)25(35)31-32-27(37)38-17-24(34)33-14-8-10-18-9-4-7-13-23(18)33/h4-7,9,11-13,16,22,29H,8,10,14-15,17H2,1-3H3,(H,30,36)(H,31,35)(H,32,37)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
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Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50421870 (CHEMBL5281306) Show SMILES Cc1cc(nc2cc(Cc3cnc(N)nc3N)ccc12)N1CCOCC1 Show InChI InChI=1S/C19H22N6O/c1-12-8-17(25-4-6-26-7-5-25)23-16-10-13(2-3-15(12)16)9-14-11-22-19(21)24-18(14)20/h2-3,8,10-11H,4-7,9H2,1H3,(H4,20,21,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
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Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50422743 (CHEMBL5275219) Show SMILES CCCCCCCn1c(O)c([nH]c1=S)-c1ccccc1 Show InChI InChI=1S/C16H22N2OS/c1-2-3-4-5-9-12-18-15(19)14(17-16(18)20)13-10-7-6-8-11-13/h6-8,10-11,19H,2-5,9,12H2,1H3,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
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Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	12	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 N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM4994 ((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7| Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	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/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50330326 ((4S,5R,6R)-5-Acetylamino-4-guanidino-6-((1R,3R)-1,...) Show SMILES [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6| Show InChI InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB 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/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526911 (CHEMBL4468358) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1 |r,c:7| Show InChI InChI=1S/C24H33BrN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-6-8-18(25)9-7-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50374666 (CHEMBL259450) Show SMILES CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C Show InChI InChI=1S/C27H33N5O5S/c1-5-17-10-6-8-12-20(17)29-23(33)16-38-26(36)32-31-24(34)22(30-25(35)37-27(2,3)4)14-18-15-28-21-13-9-7-11-19(18)21/h6-13,15,22,28H,5,14,16H2,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
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Spike glycoprotein (2019-nCoV)	BDBM50422742 (CHEMBL5274408) Show SMILES O=C1NC(C(=O)N1Cc1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H18N2O2/c25-20-22(18-12-6-2-7-13-18,19-14-8-3-9-15-19)23-21(26)24(20)16-17-10-4-1-5-11-17/h1-15H,16H2,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
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Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM429226 (med.21724, Compound 11) Show SMILES CC(C)CC(CC(=O)NO)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NC(C)C(N)=O Show InChI InChI=1S/C24H32N4O5/c1-14(2)10-19(13-21(29)28-33)23(31)27-20(24(32)26-15(3)22(25)30)12-16-8-9-17-6-4-5-7-18(17)11-16/h4-9,11,14-15,19-20,33H,10,12-13H2,1-3H3,(H2,25,30)(H,26,32)(H,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
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Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50526911 (CHEMBL4468358) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1 |r,c:7| Show InChI InChI=1S/C24H33BrN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-6-8-18(25)9-7-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	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 N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526926 (CHEMBL4516144) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2Cl)nn1 |r,c:7| Show InChI InChI=1S/C24H33ClN6O3/c1-4-19(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-18-14-31(30-29-18)13-16-8-6-7-9-20(16)25/h6-9,11,14,19,21-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM429240 (med.21724, Compound 12) Show SMILES CC(C)CC(CC(=O)NO)C(=O)NC(C(=O)NC(C)C(=O)NCCN)C(C)(C)C Show InChI InChI=1S/C19H37N5O5/c1-11(2)9-13(10-14(25)24-29)17(27)23-15(19(4,5)6)18(28)22-12(3)16(26)21-8-7-20/h11-13,15,29H,7-10,20H2,1-6H3,(H,21,26)(H,22,28)(H,23,27)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem		n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526922 (CHEMBL4463508) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CCc2ccccc2)nn1 |r,c:7| Show InChI InChI=1S/C25H36N6O3/c1-4-21(5-2)34-23-14-19(13-22(26)24(23)28-17(3)32)25(33)27-15-20-16-31(30-29-20)12-11-18-9-7-6-8-10-18/h6-10,14,16,21-24H,4-5,11-13,15,26H2,1-3H3,(H,27,33)(H,28,32)/t22-,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526916 (CHEMBL4438272) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CC(=O)N2CCOCC2)nn1 |r,c:7| Show InChI InChI=1S/C23H37N7O5/c1-4-18(5-2)35-20-11-16(10-19(24)22(20)26-15(3)31)23(33)25-12-17-13-30(28-27-17)14-21(32)29-6-8-34-9-7-29/h11,13,18-20,22H,4-10,12,14,24H2,1-3H3,(H,25,33)(H,26,31)/t19-,20+,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM429241 (med.21724, Compound 13) Show SMILES CC(C)CC(NC(Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(O)=O)C(O)=O Show InChI InChI=1S/C19H23Cl2N3O4/c1-11(2)3-16(18(25)26)23-17(19(27)28)7-15-8-22-10-24(15)9-12-4-13(20)6-14(21)5-12/h4-6,8,10-11,16-17,23H,3,7,9H2,1-2H3,(H,25,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50526898 (CHEMBL4532651) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C27H40N8O7/c1-5-18(6-2)41-21-8-16(7-19(28)24(21)30-15(4)37)26(39)29-10-17-12-35(33-32-17)20-9-23(42-22(20)13-36)34-11-14(3)25(38)31-27(34)40/h8,11-12,18-24,36H,5-7,9-10,13,28H2,1-4H3,(H,29,39)(H,30,37)(H,31,38,40)/t19-,20-,21+,22+,23+,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	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 N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50526924 (CHEMBL4553522) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NC(C)(C)c1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C29H44N8O7/c1-7-18(8-2)43-21-10-17(9-19(30)25(21)31-16(4)39)27(41)33-29(5,6)23-13-37(35-34-23)20-11-24(44-22(20)14-38)36-12-15(3)26(40)32-28(36)42/h10,12-13,18-22,24-25,38H,7-9,11,14,30H2,1-6H3,(H,31,39)(H,33,41)(H,32,40,42)/t19-,20-,21+,22+,24+,25+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	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 N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50526926 (CHEMBL4516144) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2Cl)nn1 |r,c:7| Show InChI InChI=1S/C24H33ClN6O3/c1-4-19(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-18-14-31(30-29-18)13-16-8-6-7-9-20(16)25/h6-9,11,14,19,21-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	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 N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526924 (CHEMBL4553522) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NC(C)(C)c1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C29H44N8O7/c1-7-18(8-2)43-21-10-17(9-19(30)25(21)31-16(4)39)27(41)33-29(5,6)23-13-37(35-34-23)20-11-24(44-22(20)14-38)36-12-15(3)26(40)32-28(36)42/h10,12-13,18-22,24-25,38H,7-9,11,14,30H2,1-6H3,(H,31,39)(H,33,41)(H,32,40,42)/t19-,20-,21+,22+,24+,25+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50526916 (CHEMBL4438272) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CC(=O)N2CCOCC2)nn1 |r,c:7| Show InChI InChI=1S/C23H37N7O5/c1-4-18(5-2)35-20-11-16(10-19(24)22(20)26-15(3)31)23(33)25-12-17-13-30(28-27-17)14-21(32)29-6-8-34-9-7-29/h11,13,18-20,22H,4-10,12,14,24H2,1-3H3,(H,25,33)(H,26,31)/t19-,20+,22+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	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 N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50526903 (CHEMBL4470325) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(c2)[N+]([O-])=O)nn1 |r,c:7| Show InChI InChI=1S/C24H33N7O5/c1-4-20(5-2)36-22-11-17(10-21(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-7-6-8-19(9-16)31(34)35/h6-9,11,14,20-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t21-,22+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	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 N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Spike glycoprotein (2019-nCoV)	BDBM50421867 (CHEMBL216826) Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2c(cc(C)nc12)N(C)C Show InChI InChI=1S/C18H22N6O/c1-10-5-14(24(2)3)13-7-11(8-15(25-4)16(13)22-10)6-12-9-21-18(20)23-17(12)19/h5,7-9H,6H2,1-4H3,(H4,19,20,21,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50526910 (CHEMBL4445939) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2Br)nn1 |r,c:7| Show InChI InChI=1S/C24H33BrN6O3/c1-4-19(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-18-14-31(30-29-18)13-16-8-6-7-9-20(16)25/h6-9,11,14,19,21-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	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 N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526912 (CHEMBL4444018) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2)nn1 |r,c:7| Show InChI InChI=1S/C24H34N6O3/c1-4-20(5-2)33-22-12-18(11-21(25)23(22)27-16(3)31)24(32)26-13-19-15-30(29-28-19)14-17-9-7-6-8-10-17/h6-10,12,15,20-23H,4-5,11,13-14,25H2,1-3H3,(H,26,32)(H,27,31)/t21-,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526898 (CHEMBL4532651) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(nn1)[C@H]1C[C@@H](O[C@@H]1CO)n1cc(C)c(=O)[nH]c1=O |r,c:7| Show InChI InChI=1S/C27H40N8O7/c1-5-18(6-2)41-21-8-16(7-19(28)24(21)30-15(4)37)26(39)29-10-17-12-35(33-32-17)20-9-23(42-22(20)13-36)34-11-14(3)25(38)31-27(34)40/h8,11-12,18-24,36H,5-7,9-10,13,28H2,1-4H3,(H,29,39)(H,30,37)(H,31,38,40)/t19-,20-,21+,22+,23+,24+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	690	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50421865 (CHEMBL5270175) Show SMILES COc1cc(C)nc2c(OC)cc(Cc3cnc(N)nc3N)cc12 Show InChI InChI=1S/C17H19N5O2/c1-9-4-13(23-2)12-6-10(7-14(24-3)15(12)21-9)5-11-8-20-17(19)22-16(11)18/h4,6-8H,5H2,1-3H3,(H4,18,19,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50467780 (CHEBI:5801 | Hydroxychloroquine | acs.jmedchem.1c0...) Show SMILES CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem		n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526905 (CHEMBL4462524) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(CC(=O)N2CCCC2)nn1 |r,c:7| Show InChI InChI=1S/C23H37N7O4/c1-4-18(5-2)34-20-11-16(10-19(24)22(20)26-15(3)31)23(33)25-12-17-13-30(28-27-17)14-21(32)29-8-6-7-9-29/h11,13,18-20,22H,4-10,12,14,24H2,1-3H3,(H,25,33)(H,26,31)/t19-,20+,22+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526900 (CHEMBL4452996) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Cl)c(F)c2)nn1 |r,c:7| Show InChI InChI=1S/C24H32ClFN6O3/c1-4-18(5-2)35-22-10-16(9-21(27)23(22)29-14(3)33)24(34)28-11-17-13-32(31-30-17)12-15-6-7-19(25)20(26)8-15/h6-8,10,13,18,21-23H,4-5,9,11-12,27H2,1-3H3,(H,28,34)(H,29,33)/t21-,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526907 (CHEMBL4565515) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1 |r,c:7| Show InChI InChI=1S/C24H33N7O5/c1-4-20(5-2)36-22-11-17(10-21(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-6-8-19(9-7-16)31(34)35/h6-9,11,14,20-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t21-,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526919 (CHEMBL4467055) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccccc2[N+]([O-])=O)nn1 |r,c:7| Show InChI InChI=1S/C24H33N7O5/c1-4-19(5-2)36-22-11-17(10-20(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-8-6-7-9-21(16)31(34)35/h6-9,11,14,19-20,22-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t20-,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	860	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526909 (CHEMBL4576390) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(Cl)c2)nn1 |r,c:7| Show InChI InChI=1S/C24H33ClN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-7-6-8-18(25)9-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	920	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 N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50526907 (CHEMBL4565515) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)[N+]([O-])=O)nn1 |r,c:7| Show InChI InChI=1S/C24H33N7O5/c1-4-20(5-2)36-22-11-17(10-21(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-6-8-19(9-7-16)31(34)35/h6-9,11,14,20-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t21-,22+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	980	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 N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50526899 (CHEMBL4543946) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(F)c2)nn1 |r,c:7| Show InChI InChI=1S/C24H33FN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-7-6-8-18(25)9-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+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/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM22985 (Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526923 (CHEMBL4457412) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)-c2ccccc2)nn1 |r,c:7| Show InChI InChI=1S/C30H38N6O3/c1-4-26(5-2)39-28-16-24(15-27(31)29(28)33-20(3)37)30(38)32-17-25-19-36(35-34-25)18-21-11-13-23(14-12-21)22-9-7-6-8-10-22/h6-14,16,19,26-29H,4-5,15,17-18,31H2,1-3H3,(H,32,38)(H,33,37)/t27-,28+,29+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+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/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526903 (CHEMBL4470325) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2cccc(c2)[N+]([O-])=O)nn1 |r,c:7| Show InChI InChI=1S/C24H33N7O5/c1-4-20(5-2)36-22-11-17(10-21(25)23(22)27-15(3)32)24(33)26-12-18-14-30(29-28-18)13-16-7-6-8-19(9-16)31(34)35/h6-9,11,14,20-23H,4-5,10,12-13,25H2,1-3H3,(H,26,33)(H,27,32)/t21-,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+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/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (strain A/Memphis/1/1971 H3N2))	BDBM50526895 (CHEMBL4570966) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1 |r,c:7| Show InChI InChI=1S/C24H33ClN6O3/c1-4-20(5-2)34-22-11-17(10-21(26)23(22)28-15(3)32)24(33)27-12-19-14-31(30-29-19)13-16-6-8-18(25)9-7-16/h6-9,11,14,20-23H,4-5,10,12-13,26H2,1-3H3,(H,27,33)(H,28,32)/t21-,22+,23+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.27E+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/Chicken/Hebei/LZF/2014(H5N2)) Neuraminidase N2 preincubated for 10 mins followed by MUNANA substrate addition and ...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50526923 (CHEMBL4457412) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(cc2)-c2ccccc2)nn1 |r,c:7| Show InChI InChI=1S/C30H38N6O3/c1-4-26(5-2)39-28-16-24(15-27(31)29(28)33-20(3)37)30(38)32-17-25-19-36(35-34-25)18-21-11-13-23(14-12-21)22-9-7-6-8-10-22/h6-14,16,19,26-29H,4-5,15,17-18,31H2,1-3H3,(H,32,38)(H,33,37)/t27-,28+,29+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.41E+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/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)	BDBM50526900 (CHEMBL4452996) Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)NCc1cn(Cc2ccc(Cl)c(F)c2)nn1 |r,c:7| Show InChI InChI=1S/C24H32ClFN6O3/c1-4-18(5-2)35-22-10-16(9-21(27)23(22)29-14(3)33)24(34)28-11-17-13-32(31-30-17)12-15-6-7-19(25)20(26)8-15/h6-8,10,13,18,21-23H,4-5,9,11-12,27H2,1-3H3,(H,28,34)(H,29,33)/t21-,22+,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.53E+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/goose/Guangdong/SH7/2013(H5N1)) Neuraminidase N1 preincubated for 10 mins followed by MUNANA substrate addition an...				Eur J Med Chem 187: (2020) Article DOI: 10.1016/j.ejmech.2019.111940 BindingDB Entry DOI: 10.7270/Q26Q21PV
					More data for this Ligand-Target Pair

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