Compile Data Set for Download or QSAR

Found 114 hits with Last Name = 'rao' and Initial = 'z'   

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)	BDBM5025 (Oseltamivir | US10919856, POSITIVE CONTROL | ethyl...) Show SMILES [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8| Show InChI InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM420297 (acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...) Show SMILES Fc1cccc(C[C@H](NC(=O)c2cc3ccccc3[nH]2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1 Show InChI InChI=1S/C25H25FN4O4/c26-18-6-3-4-15(10-18)11-21(24(33)28-19(14-31)12-17-8-9-27-23(17)32)30-25(34)22-13-16-5-1-2-7-20(16)29-22/h1-7,10,13-14,17,19,21,29H,8-9,11-12H2,(H,27,32)(H,28,33)(H,30,34)/t17-,19-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica					Assay Description Recombinant SARS-CoV-2 Mpro was expressed and purified from Escherichia coli (E. coli) (18, 25). A fluorescently labeled substrate, MCA-AVLQ SGFR-Lys...				Science 368: 1331-1335 (2020) Article DOI: 10.1126/science.abb4489 BindingDB Entry DOI: 10.7270/Q27W6FK1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM420296 (Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...) Show SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica					Assay Description Recombinant SARS-CoV-2 Mpro was expressed and purified from Escherichia coli (E. coli) (18, 25). A fluorescently labeled substrate, MCA-AVLQ SGFR-Lys...				Science 368: 1331-1335 (2020) Article DOI: 10.1126/science.abb4489 BindingDB Entry DOI: 10.7270/Q27W6FK1
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM34233 (2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...) Show SMILES O=c1n([se]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University					Assay Description Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...				Nature 582: 289-293 (2020) Article DOI: 10.1038/s41586-020-2223-y BindingDB Entry DOI: 10.7270/Q25B04WX
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50166940 (NP-031112 | NP-12 | Tideglusib | US20230414581, Co...) Show SMILES O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University					Assay Description Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...				Nature 582: 289-293 (2020) Article DOI: 10.1038/s41586-020-2223-y BindingDB Entry DOI: 10.7270/Q25B04WX
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50431275 (CARMOFUR | Carm-ofur | Mifurol | med.21724, Compou...) Show SMILES CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O Show InChI InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University					Assay Description Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...				Nature 582: 289-293 (2020) Article DOI: 10.1038/s41586-020-2223-y BindingDB Entry DOI: 10.7270/Q25B04WX
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50058655 (1,1',1'',1'''-[disulfanediylbis(carbonothioylnitri...) Show SMILES CCN(CC)C(=S)SSC(=S)N(CC)CC Show InChI InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University					Assay Description Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...				Nature 582: 289-293 (2020) Article DOI: 10.1038/s41586-020-2223-y BindingDB Entry DOI: 10.7270/Q25B04WX
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM178090 (5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)nap...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6](-[#8])-[#6]-1=[#6]-[#6](=O)-c2c(-[#8])ccc(-[#8])c2-[#6]-1=O |t:7| Show InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University					Assay Description Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...				Nature 582: 289-293 (2020) Article DOI: 10.1038/s41586-020-2223-y BindingDB Entry DOI: 10.7270/Q25B04WX
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497232 (CHEMBL3290246) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccccc1[N+]([O-])=O |t:7| Show InChI InChI=1S/C15H16N4O6/c1-3-25-14(22)11-12(9-6-4-5-7-10(9)19(23)24)17-15(16-8(2)20)18-13(11)21/h4-7,11-12H,3H2,1-2H3,(H2,16,17,18,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50426071 (CHEMBL406050 | PX-12 | US9018255, PX-12 | med.2172...) Show SMILES CCC(C)SSc1ncc[nH]1 Show InChI InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University					Assay Description Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...				Nature 582: 289-293 (2020) Article DOI: 10.1038/s41586-020-2223-y BindingDB Entry DOI: 10.7270/Q25B04WX
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497231 (CHEMBL3290243) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(Cl)cc1Cl |t:7| Show InChI InChI=1S/C15H15Cl2N3O4/c1-3-24-14(23)11-12(9-5-4-8(16)6-10(9)17)19-15(18-7(2)21)20-13(11)22/h4-6,11-12H,3H2,1-2H3,(H2,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497249 (CHEMBL3290244) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(Br)cc1F |t:7| Show InChI InChI=1S/C15H15BrFN3O4/c1-3-24-14(23)11-12(9-5-4-8(16)6-10(9)17)19-15(18-7(2)21)20-13(11)22/h4-6,11-12H,3H2,1-2H3,(H2,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497240 (CHEMBL3286435) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccccc1Cl |t:7| Show InChI InChI=1S/C15H16ClN3O4/c1-3-23-14(22)11-12(9-6-4-5-7-10(9)16)18-15(17-8(2)20)19-13(11)21/h4-7,11-12H,3H2,1-2H3,(H2,17,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497242 (CHEMBL3290254) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccccc1F |t:7| Show InChI InChI=1S/C15H16FN3O4/c1-3-23-14(22)11-12(9-6-4-5-7-10(9)16)18-15(17-8(2)20)19-13(11)21/h4-7,11-12H,3H2,1-2H3,(H2,17,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497230 (CHEMBL3290242) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccccc1 |t:7| Show InChI InChI=1S/C15H17N3O4/c1-3-22-14(21)11-12(10-7-5-4-6-8-10)17-15(16-9(2)19)18-13(11)20/h4-8,11-12H,3H2,1-2H3,(H2,16,17,18,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497223 (CHEMBL3290257) Show SMILES CCOC(=O)C1C(N=C(NC(=O)C(F)(F)F)NC1=O)c1ccc(Br)cc1 |t:7| Show InChI InChI=1S/C15H13BrF3N3O4/c1-2-26-12(24)9-10(7-3-5-8(16)6-4-7)20-14(21-11(9)23)22-13(25)15(17,18)19/h3-6,9-10H,2H2,1H3,(H2,20,21,22,23,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497221 (CHEMBL3290252) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(Br)cc1 |t:7| Show InChI InChI=1S/C15H16BrN3O4/c1-3-23-14(22)11-12(9-4-6-10(16)7-5-9)18-15(17-8(2)20)19-13(11)21/h4-7,11-12H,3H2,1-2H3,(H2,17,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.13E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497237 (CHEMBL3290231) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccccc1[N+]([O-])=O |t:7| Show InChI InChI=1S/C13H14N4O5/c1-2-22-12(19)9-10(15-13(14)16-11(9)18)7-5-3-4-6-8(7)17(20)21/h3-6,9-10H,2H2,1H3,(H3,14,15,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497248 (CHEMBL3290229) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccccc1Cl |t:7| Show InChI InChI=1S/C13H14ClN3O3/c1-2-20-12(19)9-10(16-13(15)17-11(9)18)7-5-3-4-6-8(7)14/h3-6,9-10H,2H2,1H3,(H3,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.69E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497219 (CHEMBL3290239) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccccc1F |t:7| Show InChI InChI=1S/C13H14FN3O3/c1-2-20-12(19)9-10(16-13(15)17-11(9)18)7-5-3-4-6-8(7)14/h3-6,9-10H,2H2,1H3,(H3,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497234 (CHEMBL3290251) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C15H16ClN3O4/c1-3-23-14(22)11-12(9-4-6-10(16)7-5-9)18-15(17-8(2)20)19-13(11)21/h4-7,11-12H,3H2,1-2H3,(H2,17,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497241 (CHEMBL3290249) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(F)cc1 |t:7| Show InChI InChI=1S/C15H16FN3O4/c1-3-23-14(22)11-12(9-4-6-10(16)7-5-9)18-15(17-8(2)20)19-13(11)21/h4-7,11-12H,3H2,1-2H3,(H2,17,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497236 (CHEMBL3290256) Show SMILES CCOC(=O)C1C(N=C(NC(=O)CC)NC1=O)c1ccc(Br)cc1 |t:7| Show InChI InChI=1S/C16H18BrN3O4/c1-3-11(21)18-16-19-13(9-5-7-10(17)8-6-9)12(14(22)20-16)15(23)24-4-2/h5-8,12-13H,3-4H2,1-2H3,(H2,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497222 (CHEMBL3290236) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(Cl)cc1 |t:7| Show InChI InChI=1S/C13H14ClN3O3/c1-2-20-12(19)9-10(16-13(15)17-11(9)18)7-3-5-8(14)6-4-7/h3-6,9-10H,2H2,1H3,(H3,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497243 (CHEMBL3290227) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(Cl)cc1Cl |t:7| Show InChI InChI=1S/C13H13Cl2N3O3/c1-2-21-12(20)9-10(17-13(16)18-11(9)19)7-4-3-6(14)5-8(7)15/h3-5,9-10H,2H2,1H3,(H3,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497245 (CHEMBL3290228) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(Br)cc1F |t:7| Show InChI InChI=1S/C13H13BrFN3O3/c1-2-21-12(20)9-10(17-13(16)18-11(9)19)7-4-3-6(14)5-8(7)15/h3-5,9-10H,2H2,1H3,(H3,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497238 (CHEMBL3290237) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(Br)cc1 |t:7| Show InChI InChI=1S/C13H14BrN3O3/c1-2-20-12(19)9-10(16-13(15)17-11(9)18)7-3-5-8(14)6-4-7/h3-6,9-10H,2H2,1H3,(H3,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM419120 (acs.jmedchem.1c00409_ST.487 | cmdc.202100576, 8d(N...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)c1cc(C)on1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)\C=C\C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C35H48N6O8/c1-20(2)16-27(39-35(47)30(21(3)4)40-31(43)23(6)37-34(46)28-17-22(5)49-41-28)33(45)38-26(18-25-14-15-36-32(25)44)12-13-29(42)48-19-24-10-8-7-9-11-24/h7-13,17,20-21,23,25-27,30H,14-16,18-19H2,1-6H3,(H,36,44)(H,37,46)(H,38,45)(H,39,47)(H,40,43)/b13-12+/t23-,25-,26+,27-,30-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
ShanghaiTech University					Assay Description Recombinant SARS-CoV-2 Mpro with native N and C termini was expressed in Escherichia coli, and subsequently purified (Extended Data Fig. 1a, b). The ...				Nature 582: 289-293 (2020) Article DOI: 10.1038/s41586-020-2223-y BindingDB Entry DOI: 10.7270/Q25B04WX
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497217 (CHEMBL3290225) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccccc1 |t:7| Show InChI InChI=1S/C13H15N3O3/c1-2-19-12(18)9-10(8-6-4-3-5-7-8)15-13(14)16-11(9)17/h3-7,9-10H,2H2,1H3,(H3,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497246 (CHEMBL3290255) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(cc1)N(C)C |t:7| Show InChI InChI=1S/C17H22N4O4/c1-5-25-16(24)13-14(11-6-8-12(9-7-11)21(3)4)19-17(18-10(2)22)20-15(13)23/h6-9,13-14H,5H2,1-4H3,(H2,18,19,20,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497226 (CHEMBL3290234) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(F)cc1 |t:7| Show InChI InChI=1S/C13H14FN3O3/c1-2-20-12(19)9-10(16-13(15)17-11(9)18)7-3-5-8(14)6-4-7/h3-6,9-10H,2H2,1H3,(H3,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497247 (CHEMBL3290247) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(cc1)[N+]([O-])=O |t:7| Show InChI InChI=1S/C15H16N4O6/c1-3-25-14(22)11-12(9-4-6-10(7-5-9)19(23)24)17-15(16-8(2)20)18-13(11)21/h4-7,11-12H,3H2,1-2H3,(H2,16,17,18,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497220 (CHEMBL3290245) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(C)cc1 |t:7| Show InChI InChI=1S/C16H19N3O4/c1-4-23-15(22)12-13(11-7-5-9(2)6-8-11)18-16(17-10(3)20)19-14(12)21/h5-8,12-13H,4H2,1-3H3,(H2,17,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497244 (CHEMBL3290250) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(OC)cc1 |t:7| Show InChI InChI=1S/C16H19N3O5/c1-4-24-15(22)12-13(10-5-7-11(23-3)8-6-10)18-16(17-9(2)20)19-14(12)21/h5-8,12-13H,4H2,1-3H3,(H2,17,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497225 (CHEMBL3290232) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(cc1)[N+]([O-])=O |t:7| Show InChI InChI=1S/C13H14N4O5/c1-2-22-12(19)9-10(15-13(14)16-11(9)18)7-3-5-8(6-4-7)17(20)21/h3-6,9-10H,2H2,1H3,(H3,14,15,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.89E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497216 (CHEMBL3290230) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(C)cc1 |t:7| Show InChI InChI=1S/C14H17N3O3/c1-3-20-13(19)10-11(16-14(15)17-12(10)18)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3,(H3,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497218 (CHEMBL3290233) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(OC)c(OC)c1 |t:7| Show InChI InChI=1S/C15H19N3O5/c1-4-23-14(20)11-12(17-15(16)18-13(11)19)8-5-6-9(21-2)10(7-8)22-3/h5-7,11-12H,4H2,1-3H3,(H3,16,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497224 (CHEMBL3290226) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)C(C)C |t:7| Show InChI InChI=1S/C10H17N3O3/c1-4-16-9(15)6-7(5(2)3)12-10(11)13-8(6)14/h5-7H,4H2,1-3H3,(H3,11,12,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497227 (CHEMBL3290235) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(OC)cc1 |t:7| Show InChI InChI=1S/C14H17N3O4/c1-3-21-13(19)10-11(16-14(15)17-12(10)18)8-4-6-9(20-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H3,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497228 (CHEMBL3290238) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccco1 |t:7| Show InChI InChI=1S/C11H13N3O4/c1-2-17-10(16)7-8(6-4-3-5-18-6)13-11(12)14-9(7)15/h3-5,7-8H,2H2,1H3,(H3,12,13,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497229 (CHEMBL3290240) Show SMILES CCOC(=O)C1C(N=C(N)NC1=O)c1ccc(cc1)N(C)C |t:7| Show InChI InChI=1S/C15H20N4O3/c1-4-22-14(21)11-12(17-15(16)18-13(11)20)9-5-7-10(8-6-9)19(2)3/h5-8,11-12H,4H2,1-3H3,(H3,16,17,18,20)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497233 (CHEMBL3290248) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccc(OC)c(OC)c1 |t:7| Show InChI InChI=1S/C17H21N3O6/c1-5-26-16(23)13-14(19-17(18-9(2)21)20-15(13)22)10-6-7-11(24-3)12(8-10)25-4/h6-8,13-14H,5H2,1-4H3,(H2,18,19,20,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497235 (CHEMBL3290253) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)c1ccco1 |t:7| Show InChI InChI=1S/C13H15N3O5/c1-3-20-12(19)9-10(8-5-4-6-21-8)15-13(14-7(2)17)16-11(9)18/h4-6,9-10H,3H2,1-2H3,(H2,14,15,16,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50497239 (CHEMBL3290241) Show SMILES CCOC(=O)C1C(N=C(NC(C)=O)NC1=O)C(C)C |t:7| Show InChI InChI=1S/C12H19N3O4/c1-5-19-11(18)8-9(6(2)3)14-12(13-7(4)16)15-10(8)17/h6,8-9H,5H2,1-4H3,(H2,13,14,15,16,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Wuhan University School of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of Influenza A H1N1 virus neuraminidase after 1 hr by spectrofluorimetry using 2-(4-meythylumbelliferyl)-alpha-D-acetylneuramic acid as su...				Eur J Med Chem 83: 466-73 (2014) Article DOI: 10.1016/j.ejmech.2014.06.059 BindingDB Entry DOI: 10.7270/Q2251N6W
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay				Bioorg Med Chem Lett 25: 4158-63 (2015) Article DOI: 10.1016/j.bmcl.2015.08.011 BindingDB Entry DOI: 10.7270/Q2GM8938
					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50038210 (5-(2-Ethyl-2H-tetrazol-5-yl)-1-methyl-1,2,3,6-tetr...) Show SMILES CCn1nnc(n1)C1=CCCN(C)C1 |t:8| Show InChI InChI=1S/C9H15N5/c1-3-14-11-9(10-12-14)8-5-4-6-13(2)7-8/h5H,3-4,6-7H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	296	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay				Bioorg Med Chem Lett 25: 4158-63 (2015) Article DOI: 10.1016/j.bmcl.2015.08.011 BindingDB Entry DOI: 10.7270/Q2GM8938
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50061705 ((R)-1-Aza-bicyclo[2.2.2]oct-3-yl-[(Z)-methoxyimino...) Show SMILES CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)| Show InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8-9H,2-5,7H2,1H3/b12-10+/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	62	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay				Bioorg Med Chem Lett 25: 4158-63 (2015) Article DOI: 10.1016/j.bmcl.2015.08.011 BindingDB Entry DOI: 10.7270/Q2GM8938
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50119648 (Talsaclidine) Show SMILES C#CCO[C@H]1CN2CCC1CC2 |wU:4.3,(10.21,-8.05,;8.84,-8.8,;7.52,-9.57,;6.13,-8.8,;4.75,-9.57,;4.75,-11.19,;3.37,-11.99,;2.03,-11.19,;2.03,-9.66,;3.37,-8.88,;3.81,-10.1,;3,-10.66,)| Show InChI InChI=1S/C10H15NO/c1-2-7-12-10-8-11-5-3-9(10)4-6-11/h1,9-10H,3-8H2/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	849	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay				Bioorg Med Chem Lett 25: 4158-63 (2015) Article DOI: 10.1016/j.bmcl.2015.08.011 BindingDB Entry DOI: 10.7270/Q2GM8938
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50003359 (5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...) Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1 |t:13| Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	121	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M2 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay				Bioorg Med Chem Lett 25: 4158-63 (2015) Article DOI: 10.1016/j.bmcl.2015.08.011 BindingDB Entry DOI: 10.7270/Q2GM8938
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM10759 (2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acet...) Show SMILES CC(=O)OCC[N+](C)(C)C Show InChI InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	205	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human muscarinic M3 receptor expressed in CHO cells after 30 mins by GTPgamma35S binding assay				Bioorg Med Chem Lett 25: 4158-63 (2015) Article DOI: 10.1016/j.bmcl.2015.08.011 BindingDB Entry DOI: 10.7270/Q2GM8938
					More data for this Ligand-Target Pair

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