Compile Data Set for Download or QSAR

Found 237 hits with Last Name = 'shin' and Initial = 'wj'   

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)	BDBM50365366 (CHEMBL1232591) Show SMILES [H][C@]1(OC(C(O)=O)=C(C\C=C\c2ccc(C)cc2)[C@H](O)[C@H]1NC(C)=O)[C@H](O)[C@H](O)CO |r,t:6| Show InChI InChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/b4-3+/t15-,16-,17+,18-,20-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) X-31 recombinant neuraminidase using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic ...				Eur J Med Chem 54: 764-70 (2012) Article DOI: 10.1016/j.ejmech.2012.06.033 BindingDB Entry DOI: 10.7270/Q2FT8PVF
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489423 (CHEMBL2315323) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1cccc(F)c1)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H26FN5O6/c1-9(27)24-15-12(25-19(21)22)6-14(31-17(15)16(29)13(28)8-26)18(30)23-7-10-3-2-4-11(20)5-10/h2-6,12-13,15-17,26,28-29H,7-8H2,1H3,(H,23,30)(H,24,27)(H4,21,22,25)/t12-,13+,15+,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/97(H3N2)) recombinant neuraminidase using 2'-(4- methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as s...				Eur J Med Chem 54: 764-70 (2012) Article DOI: 10.1016/j.ejmech.2012.06.033 BindingDB Entry DOI: 10.7270/Q2FT8PVF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/1997(H3N2)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotome...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) X-31 recombinant neuraminidase using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic ...				Eur J Med Chem 54: 764-70 (2012) Article DOI: 10.1016/j.ejmech.2012.06.033 BindingDB Entry DOI: 10.7270/Q2FT8PVF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus H5N1 neuraminidase				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuraminidase (Influenza A virus)	BDBM50489423 (CHEMBL2315323) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1cccc(F)c1)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H26FN5O6/c1-9(27)24-15-12(25-19(21)22)6-14(31-17(15)16(29)13(28)8-26)18(30)23-7-10-3-2-4-11(20)5-10/h2-6,12-13,15-17,26,28-29H,7-8H2,1H3,(H,23,30)(H,24,27)(H4,21,22,25)/t12-,13+,15+,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/1997(H3N2)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotome...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479502 (ML300-based SC inhibitor 41) Show SMILES Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2c[nH]cn2)c1 Show InChI InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479482 (ML300-based SC inhibitor 21) Show SMILES O=C(Cn1nnc2ccccc12)N(Cc1ccsc1)c1ccc(cc1)-c1c[nH]cn1 Show InChI InChI=1S/C22H18N6OS/c29-22(13-28-21-4-2-1-3-19(21)25-26-28)27(12-16-9-10-30-14-16)18-7-5-17(6-8-18)20-11-23-15-24-20/h1-11,14-15H,12-13H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489411 (CHEMBL2315321) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25N5O8/c1-5(14(26)27)18-13(25)9-3-7(20-15(16)17)10(19-6(2)22)12(28-9)11(24)8(23)4-21/h3,5,7-8,10-12,21,23-24H,4H2,1-2H3,(H,18,25)(H,19,22)(H,26,27)(H4,16,17,20)/t5-,7-,8+,10+,11+,12+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479502 (ML300-based SC inhibitor 41) Show SMILES Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2c[nH]cn2)c1 Show InChI InChI=1S/C24H19ClN6O/c25-19-5-3-4-17(12-19)14-30(20-10-8-18(9-11-20)22-13-26-16-27-22)24(32)15-31-23-7-2-1-6-21(23)28-29-31/h1-13,16H,14-15H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489410 (CHEMBL2315322) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCCC(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25N5O8/c1-6(22)19-11-7(20-15(16)17)4-9(14(27)18-3-2-10(24)25)28-13(11)12(26)8(23)5-21/h4,7-8,11-13,21,23,26H,2-3,5H2,1H3,(H,18,27)(H,19,22)(H,24,25)(H4,16,17,20)/t7-,8+,11+,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479492 (ML300-based SC inhibitor 31) Show SMILES Fc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C26H19ClFN5O/c27-21-12-18(13-22(28)14-21)16-32(23-9-7-19(8-10-23)20-4-3-11-29-15-20)26(34)17-33-25-6-2-1-5-24(25)30-31-33/h1-15H,16-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489423 (CHEMBL2315323) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1cccc(F)c1)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H26FN5O6/c1-9(27)24-15-12(25-19(21)22)6-14(31-17(15)16(29)13(28)8-26)18(30)23-7-10-3-2-4-11(20)5-10/h2-6,12-13,15-17,26,28-29H,7-8H2,1H3,(H,23,30)(H,24,27)(H4,21,22,25)/t12-,13+,15+,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489411 (CHEMBL2315321) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25N5O8/c1-5(14(26)27)18-13(25)9-3-7(20-15(16)17)10(19-6(2)22)12(28-9)11(24)8(23)4-21/h3,5,7-8,10-12,21,23-24H,4H2,1-2H3,(H,18,25)(H,19,22)(H,26,27)(H4,16,17,20)/t5-,7-,8+,10+,11+,12+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489418 (CHEMBL2315320) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](C(C)C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C17H29N5O8/c1-6(2)11(16(28)29)22-15(27)10-4-8(21-17(18)19)12(20-7(3)24)14(30-10)13(26)9(25)5-23/h4,6,8-9,11-14,23,25-26H,5H2,1-3H3,(H,20,24)(H,22,27)(H,28,29)(H4,18,19,21)/t8-,9+,11-,12+,13+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/1997(H3N2)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotome...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479480 (ML300-based SC inhibitor 19) Show SMILES O=C(Cn1nnc2ccccc12)N(Cc1ccsc1)c1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C22H18N6OS/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-9-10-30-15-16)19-7-5-17(6-8-19)18-11-23-24-12-18/h1-12,15H,13-14H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479480 (ML300-based SC inhibitor 19) Show SMILES O=C(Cn1nnc2ccccc12)N(Cc1ccsc1)c1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C22H18N6OS/c29-22(14-28-21-4-2-1-3-20(21)25-26-28)27(13-16-9-10-30-15-16)19-7-5-17(6-8-19)18-11-23-24-12-18/h1-12,15H,13-14H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479493 (ML300-based SC inhibitor 32) Show SMILES Clc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C26H19Cl2N5O/c27-21-12-18(13-22(28)14-21)16-32(23-9-7-19(8-10-23)20-4-3-11-29-15-20)26(34)17-33-25-6-2-1-5-24(25)30-31-33/h1-15H,16-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479492 (ML300-based SC inhibitor 31) Show SMILES Fc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C26H19ClFN5O/c27-21-12-18(13-22(28)14-21)16-32(23-9-7-19(8-10-23)20-4-3-11-29-15-20)26(34)17-33-25-6-2-1-5-24(25)30-31-33/h1-15H,16-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479482 (ML300-based SC inhibitor 21) Show SMILES O=C(Cn1nnc2ccccc12)N(Cc1ccsc1)c1ccc(cc1)-c1c[nH]cn1 Show InChI InChI=1S/C22H18N6OS/c29-22(13-28-21-4-2-1-3-19(21)25-26-28)27(12-16-9-10-30-14-16)18-7-5-17(6-8-18)20-11-23-15-24-20/h1-11,14-15H,12-13H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489413 (CHEMBL2315318) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C17H27N5O10/c1-6(24)20-12-8(22-17(18)19)4-10(32-14(12)13(28)9(25)5-23)15(29)21-7(16(30)31)2-3-11(26)27/h4,7-9,12-14,23,25,28H,2-3,5H2,1H3,(H,20,24)(H,21,29)(H,26,27)(H,30,31)(H4,18,19,22)/t7-,8-,9+,12+,13+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479501 (ML300-based SC inhibitor 40) Show SMILES Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cn2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C23H18ClN7O/c24-19-5-3-4-16(10-19)14-30(22-9-8-17(11-25-22)18-12-26-27-13-18)23(32)15-31-21-7-2-1-6-20(21)28-29-31/h1-13H,14-15H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479493 (ML300-based SC inhibitor 32) Show SMILES Clc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C26H19Cl2N5O/c27-21-12-18(13-22(28)14-21)16-32(23-9-7-19(8-10-23)20-4-3-11-29-15-20)26(34)17-33-25-6-2-1-5-24(25)30-31-33/h1-15H,16-17H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479499 (ML300-based SC inhibitor 38) Show SMILES COc1cc(ccc1N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc12)-c1cn[nH]c1 Show InChI InChI=1S/C25H21ClN6O2/c1-34-24-12-18(19-13-27-28-14-19)9-10-23(24)31(15-17-5-4-6-20(26)11-17)25(33)16-32-22-8-3-2-7-21(22)29-30-32/h2-14H,15-16H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479498 (ML300-based SC inhibitor 37) Show SMILES COc1cc(ccc1-c1cn[nH]c1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc12 Show InChI InChI=1S/C25H21ClN6O2/c1-34-24-12-20(9-10-21(24)18-13-27-28-14-18)31(15-17-5-4-6-19(26)11-17)25(33)16-32-23-8-3-2-7-22(23)29-30-32/h2-14H,15-16H2,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	206	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479499 (ML300-based SC inhibitor 38) Show SMILES COc1cc(ccc1N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc12)-c1cn[nH]c1 Show InChI InChI=1S/C25H21ClN6O2/c1-34-24-12-18(19-13-27-28-14-19)9-10-23(24)31(15-17-5-4-6-20(26)11-17)25(33)16-32-22-8-3-2-7-21(22)29-30-32/h2-14H,15-16H2,1H3,(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479501 (ML300-based SC inhibitor 40) Show SMILES Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cn2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C23H18ClN7O/c24-19-5-3-4-16(10-19)14-30(22-9-8-17(11-25-22)18-12-26-27-13-18)23(32)15-31-21-7-2-1-6-20(21)28-29-31/h1-13H,14-15H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489417 (CHEMBL2315324) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1ccccc1F)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H26FN5O6/c1-9(27)24-15-12(25-19(21)22)6-14(31-17(15)16(29)13(28)8-26)18(30)23-7-10-4-2-3-5-11(10)20/h2-6,12-13,15-17,26,28-29H,7-8H2,1H3,(H,23,30)(H,24,27)(H4,21,22,25)/t12-,13+,15+,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479489 (ML300-based SC inhibitor 28) Show SMILES Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C26H20ClN5O/c27-22-7-3-5-19(15-22)17-31(23-12-10-20(11-13-23)21-6-4-14-28-16-21)26(33)18-32-25-9-2-1-8-24(25)29-30-32/h1-16H,17-18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489405 (CHEMBL2315596) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1ccc(C)cc1)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C20H29N5O6/c1-10-3-5-12(6-4-10)8-23-19(30)15-7-13(25-20(21)22)16(24-11(2)27)18(31-15)17(29)14(28)9-26/h3-7,13-14,16-18,26,28-29H,8-9H2,1-2H3,(H,23,30)(H,24,27)(H4,21,22,25)/t13-,14+,16+,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489417 (CHEMBL2315324) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1ccccc1F)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C19H26FN5O6/c1-9(27)24-15-12(25-19(21)22)6-14(31-17(15)16(29)13(28)8-26)18(30)23-7-10-4-2-3-5-11(10)20/h2-6,12-13,15-17,26,28-29H,7-8H2,1H3,(H,23,30)(H,24,27)(H4,21,22,25)/t12-,13+,15+,16+,17+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479497 (ML300-based SC inhibitor 36) Show SMILES Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H19ClN6O/c25-20-5-3-4-17(12-20)15-30(21-10-8-18(9-11-21)19-13-26-27-14-19)24(32)16-31-23-7-2-1-6-22(23)28-29-31/h1-14H,15-16H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489405 (CHEMBL2315596) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCc1ccc(C)cc1)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C20H29N5O6/c1-10-3-5-12(6-4-10)8-23-19(30)15-7-13(25-20(21)22)16(24-11(2)27)18(31-15)17(29)14(28)9-26/h3-7,13-14,16-18,26,28-29H,8-9H2,1-2H3,(H,23,30)(H,24,27)(H4,21,22,25)/t13-,14+,16+,17+,18+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Indonesia/5/2005(H5N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophot...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479494 (ML300-based SC inhibitor 33) Show SMILES Cc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C27H22ClN5O/c1-19-13-20(15-23(28)14-19)17-32(24-10-8-21(9-11-24)22-5-4-12-29-16-22)27(34)18-33-26-7-3-2-6-25(26)30-31-33/h2-16H,17-18H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479498 (ML300-based SC inhibitor 37) Show SMILES COc1cc(ccc1-c1cn[nH]c1)N(Cc1cccc(Cl)c1)C(=O)Cn1nnc2ccccc12 Show InChI InChI=1S/C25H21ClN6O2/c1-34-24-12-20(9-10-21(24)18-13-27-28-14-18)31(15-17-5-4-6-19(26)11-17)25(33)16-32-23-8-3-2-7-22(23)29-30-32/h2-14H,15-16H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479500 (ML300-based SC inhibitor 39) Show SMILES Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(nc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C23H18ClN7O/c24-18-5-3-4-16(10-18)14-30(19-8-9-20(25-13-19)17-11-26-27-12-17)23(32)15-31-22-7-2-1-6-21(22)28-29-31/h1-13H,14-15H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	333	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479497 (ML300-based SC inhibitor 36) Show SMILES Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C24H19ClN6O/c25-20-5-3-4-17(12-20)15-30(21-10-8-18(9-11-21)19-13-26-27-14-19)24(32)16-31-23-7-2-1-6-22(23)28-29-31/h1-14H,15-16H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	334	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479500 (ML300-based SC inhibitor 39) Show SMILES Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(nc2)-c2cn[nH]c2)c1 Show InChI InChI=1S/C23H18ClN7O/c24-18-5-3-4-16(10-18)14-30(19-8-9-20(25-13-19)17-11-26-27-12-17)23(32)15-31-22-7-2-1-6-21(22)28-29-31/h1-13H,14-15H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	336	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489410 (CHEMBL2315322) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCCC(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25N5O8/c1-6(22)19-11-7(20-15(16)17)4-9(14(27)18-3-2-10(24)25)28-13(11)12(26)8(23)5-21/h4,7-8,11-13,21,23,26H,2-3,5H2,1H3,(H,18,27)(H,19,22)(H,24,25)(H4,16,17,20)/t7-,8+,11+,12+,13+/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
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479495 (ML300-based SC inhibitor 34) Show SMILES Clc1cncc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C25H19ClN6O/c26-21-12-18(13-28-15-21)16-31(22-9-7-19(8-10-22)20-4-3-11-27-14-20)25(33)17-32-24-6-2-1-5-23(24)29-30-32/h1-15H,16-17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479471 (ML300-based SC inhibitor 10) Show SMILES NC(=O)c1ccc(cc1)N(Cc1ccsc1)C(=O)Cn1nnc2ccccc12 Show InChI InChI=1S/C20H17N5O2S/c21-20(27)15-5-7-16(8-6-15)24(11-14-9-10-28-13-14)19(26)12-25-18-4-2-1-3-17(18)22-23-25/h1-10,13H,11-12H2,(H2,21,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479489 (ML300-based SC inhibitor 28) Show SMILES Clc1cccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C26H20ClN5O/c27-22-7-3-5-19(15-22)17-31(23-12-10-20(11-13-23)21-6-4-14-28-16-21)26(33)18-32-25-9-2-1-8-24(25)29-30-32/h1-16H,17-18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489411 (CHEMBL2315321) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](C)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25N5O8/c1-5(14(26)27)18-13(25)9-3-7(20-15(16)17)10(19-6(2)22)12(28-9)11(24)8(23)4-21/h3,5,7-8,10-12,21,23-24H,4H2,1-2H3,(H,18,25)(H,19,22)(H,26,27)(H4,16,17,20)/t5-,7-,8+,10+,11+,12+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/1997(H3N2)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotome...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM479494 (ML300-based SC inhibitor 33) Show SMILES Cc1cc(Cl)cc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2cccnc2)c1 Show InChI InChI=1S/C27H22ClN5O/c1-19-13-20(15-23(28)14-19)17-32(24-10-8-21(9-11-24)22-5-4-12-29-16-22)27(34)18-33-26-7-3-2-6-25(26)30-31-33/h2-16H,17-18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	418	n/a	n/a	n/a	n/a	n/a	n/a
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM479471 (ML300-based SC inhibitor 10) Show SMILES NC(=O)c1ccc(cc1)N(Cc1ccsc1)C(=O)Cn1nnc2ccccc12 Show InChI InChI=1S/C20H17N5O2S/c21-20(27)15-5-7-16(8-6-15)24(11-14-9-10-28-13-14)19(26)12-25-18-4-2-1-3-17(18)22-23-25/h1-10,13H,11-12H2,(H2,21,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank 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
Cleveland Clinic					Assay Description The protease activity and subsequent 10-point IC50 curves were spectroscopically determined using a scaled down, end point assay adapted from a previ...				J Med Chem 64: (2021) Article DOI: 10.1021/acs.jmedchem.1c00598 BindingDB Entry DOI: 10.7270/Q2NV9NCB
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489413 (CHEMBL2315318) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C17H27N5O10/c1-6(24)20-12-8(22-17(18)19)4-10(32-14(12)13(28)9(25)5-23)15(29)21-7(16(30)31)2-3-11(26)27/h4,7-9,12-14,23,25,28H,2-3,5H2,1H3,(H,20,24)(H,21,29)(H,26,27)(H,30,31)(H4,18,19,22)/t7-,8-,9+,12+,13+,14+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of influenza A virus (A/Guangdong/376/2001(H1N1)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectroph...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50489410 (CHEMBL2315322) Show SMILES [H][C@]1(OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)C(=O)NCCC(O)=O)[C@H](O)[C@H](O)CO |r,c:3| Show InChI InChI=1S/C15H25N5O8/c1-6(22)19-11-7(20-15(16)17)4-9(14(27)18-3-2-10(24)25)28-13(11)12(26)8(23)5-21/h4,7-8,11-13,21,23,26H,2-3,5H2,1H3,(H,18,27)(H,19,22)(H,24,25)(H4,16,17,20)/t7-,8+,11+,12+,13+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A virus (A/Sydney/5/1997(H3N2)) neuraminidase infected in chick embryo using MUNANA as substrate after 1 hr by spectrophotome...				J Med Chem 56: 671-84 (2013) Article DOI: 10.1021/jm3009713 BindingDB Entry DOI: 10.7270/Q2RV0RM7
					More data for this Ligand-Target Pair

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