Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50047578   

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)	BDBM50176806 (CHEMBL3810328) Show SMILES OC(=O)c1ccc(Cl)cc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)o1 |c:20| Show InChI InChI=1S/C27H17ClN2O4/c28-18-11-13-21(27(32)33)22(15-18)24-14-12-20(34-24)16-23-25(17-7-3-1-4-8-17)29-30(26(23)31)19-9-5-2-6-10-19/h1-16H,(H,32,33)/b23-16-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of Influenza A virus H5N1 neuraminidase preincubated for 10 mins followed by addition of 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneurami...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50176807 (CHEMBL3808658) Show SMILES OC(=O)c1ccc(Cl)cc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(F)cc2)o1 |c:20| Show InChI InChI=1S/C27H16ClFN2O4/c28-17-6-12-21(27(33)34)22(14-17)24-13-11-20(35-24)15-23-25(16-4-2-1-3-5-16)30-31(26(23)32)19-9-7-18(29)8-10-19/h1-15H,(H,33,34)/b23-15-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of Influenza A virus H5N1 neuraminidase preincubated for 10 mins followed by addition of 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneurami...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176810 (CHEMBL3808427) Show SMILES CC(C)(C)c1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2cc(Cl)ccc2C(O)=O)C1=O)c1ccccc1 |c:12| Show InChI InChI=1S/C31H25ClN2O4/c1-31(2,3)20-9-12-22(13-10-20)34-29(35)26(28(33-34)19-7-5-4-6-8-19)18-23-14-16-27(38-23)25-17-21(32)11-15-24(25)30(36)37/h4-18H,1-3H3,(H,36,37)/b26-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176809 (CHEMBL3809329) Show SMILES CC(C)c1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2cc(Cl)ccc2C(O)=O)C1=O)c1ccccc1 |c:11| Show InChI InChI=1S/C30H23ClN2O4/c1-18(2)19-8-11-22(12-9-19)33-29(34)26(28(32-33)20-6-4-3-5-7-20)17-23-13-15-27(37-23)25-16-21(31)10-14-24(25)30(35)36/h3-18H,1-2H3,(H,35,36)/b26-17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176812 (CHEMBL3809861) Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2)C1=O)c1ccccc1 |c:11| Show InChI InChI=1S/C27H18N2O4/c30-26-23(17-22-14-15-24(33-22)18-8-3-1-4-9-18)25(19-10-5-2-6-11-19)28-29(26)21-13-7-12-20(16-21)27(31)32/h1-17H,(H,31,32)/b23-17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176862 (CHEMBL3809053) Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(cc2)-c2ccccc2)C1=O)c1ccccc1 |c:11| Show InChI InChI=1S/C29H20N2O3/c32-28-26(18-20-14-16-22(17-15-20)21-8-3-1-4-9-21)27(23-10-5-2-6-11-23)30-31(28)25-13-7-12-24(19-25)29(33)34/h1-19H,(H,33,34)/b26-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176858 (CHEMBL3809579) Show SMILES CC(C)(C)c1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2C(O)=O)C1=O)c1ccccc1 |c:12| Show InChI InChI=1S/C31H26N2O4/c1-31(2,3)21-13-15-22(16-14-21)33-29(34)26(28(32-33)20-9-5-4-6-10-20)19-23-17-18-27(37-23)24-11-7-8-12-25(24)30(35)36/h4-19H,1-3H3,(H,35,36)/b26-19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176857 (CHEMBL3809506) Show SMILES CC(C)c1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2C(O)=O)C1=O)c1ccccc1 |c:11| Show InChI InChI=1S/C30H24N2O4/c1-19(2)20-12-14-22(15-13-20)32-29(33)26(28(31-32)21-8-4-3-5-9-21)18-23-16-17-27(36-23)24-10-6-7-11-25(24)30(34)35/h3-19H,1-2H3,(H,34,35)/b26-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Neuraminidase (Influenza A virus)	BDBM50176814 (CHEMBL3810361) Show SMILES OC(=O)c1ccccc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)o1 |c:19| Show InChI InChI=1S/C27H18N2O4/c30-26-23(17-20-15-16-24(33-20)21-13-7-8-14-22(21)27(31)32)25(18-9-3-1-4-10-18)28-29(26)19-11-5-2-6-12-19/h1-17H,(H,31,32)/b23-17-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of Influenza A virus H5N1 neuraminidase preincubated for 10 mins followed by addition of 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneurami...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176863 (CHEMBL3809926) Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(OCc3ccccc3)cc2)C1=O)c1ccccc1 |c:11| Show InChI InChI=1S/C30H22N2O4/c33-29-27(18-21-14-16-26(17-15-21)36-20-22-8-3-1-4-9-22)28(23-10-5-2-6-11-23)31-32(29)25-13-7-12-24(19-25)30(34)35/h1-19H,20H2,(H,34,35)/b27-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176806 (CHEMBL3810328) Show SMILES OC(=O)c1ccc(Cl)cc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)o1 |c:20| Show InChI InChI=1S/C27H17ClN2O4/c28-18-11-13-21(27(32)33)22(15-18)24-14-12-20(34-24)16-23-25(17-7-3-1-4-8-17)29-30(26(23)31)19-9-5-2-6-10-19/h1-16H,(H,32,33)/b23-16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176859 (CHEMBL3809498) Show SMILES OC(=O)c1ccccc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(cc2)C#N)o1 |c:19| Show InChI InChI=1S/C28H17N3O4/c29-17-18-10-12-20(13-11-18)31-27(32)24(26(30-31)19-6-2-1-3-7-19)16-21-14-15-25(35-21)22-8-4-5-9-23(22)28(33)34/h1-16H,(H,33,34)/b24-16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176807 (CHEMBL3808658) Show SMILES OC(=O)c1ccc(Cl)cc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(F)cc2)o1 |c:20| Show InChI InChI=1S/C27H16ClFN2O4/c28-17-6-12-21(27(33)34)22(14-17)24-13-11-20(35-24)15-23-25(16-4-2-1-3-5-16)30-31(26(23)32)19-9-7-18(29)8-10-19/h1-15H,(H,33,34)/b23-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176860 (CHEMBL3809059) Show SMILES COc1ccc(cc1)N1N=C(\C(=C\c2ccc(o2)-c2ccccc2C(O)=O)C1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C28H20N2O5/c1-34-20-13-11-19(12-14-20)30-27(31)24(26(29-30)18-7-3-2-4-8-18)17-21-15-16-25(35-21)22-9-5-6-10-23(22)28(32)33/h2-17H,1H3,(H,32,33)/b24-17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176856 (CHEMBL3810325) Show SMILES OC(=O)c1ccccc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccc(F)cc2)o1 |c:19| Show InChI InChI=1S/C27H17FN2O4/c28-18-10-12-19(13-11-18)30-26(31)23(25(29-30)17-6-2-1-3-7-17)16-20-14-15-24(34-20)21-8-4-5-9-22(21)27(32)33/h1-16H,(H,32,33)/b23-16-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176814 (CHEMBL3810361) Show SMILES OC(=O)c1ccccc1-c1ccc(\C=C2/C(=O)N(N=C2c2ccccc2)c2ccccc2)o1 |c:19| Show InChI InChI=1S/C27H18N2O4/c30-26-23(17-20-15-16-24(33-20)21-13-7-8-14-22(21)27(31)32)25(18-9-3-1-4-10-18)28-29(26)19-11-5-2-6-12-19/h1-17H,(H,31,32)/b23-17-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176804 (CHEMBL3808795) Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(o2)-c2cc(Cl)ccc2C(O)=O)C1=O)c1ccccc1 |c:11| Show InChI InChI=1S/C28H17ClN2O6/c29-18-9-11-21(28(35)36)22(14-18)24-12-10-20(37-24)15-23-25(16-5-2-1-3-6-16)30-31(26(23)32)19-8-4-7-17(13-19)27(33)34/h1-15H,(H,33,34)(H,35,36)/b23-15-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176861 (CHEMBL3809833) Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccco2)C1=O)c1ccccc1 |c:11| Show InChI InChI=1S/C21H14N2O4/c24-20-18(13-17-10-5-11-27-17)19(14-6-2-1-3-7-14)22-23(20)16-9-4-8-15(12-16)21(25)26/h1-13H,(H,25,26)/b18-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176813 (CHEMBL3809159) Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccccc1)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C22H16N2O4/c1-14-19(13-18-10-11-20(28-18)15-6-3-2-4-7-15)21(25)24(23-14)17-9-5-8-16(12-17)22(26)27/h2-13H,1H3,(H,26,27)/b19-13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176811 (CHEMBL3810058) Show SMILES O=C1N(N=C(\C1=C\c1ccc(o1)-c1ccccc1)c1ccccc1)c1ccccc1 |c:3| Show InChI InChI=1S/C26H18N2O2/c29-26-23(18-22-16-17-24(30-22)19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)27-28(26)21-14-8-3-9-15-21/h1-18H/b23-18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176805 (CHEMBL3810010) Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1C(O)=O)c1ccccc1 |t:1| Show InChI InChI=1S/C22H15ClN2O4/c1-13-18(21(26)25(24-13)15-5-3-2-4-6-15)12-16-8-10-20(29-16)19-11-14(23)7-9-17(19)22(27)28/h2-12H,1H3,(H,27,28)/b18-12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176803 (CHEMBL3808558) Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C/c2ccc(o2)-c2ccccc2C(O)=O)C1=O)C(F)(F)F |c:11| Show InChI InChI=1S/C23H13F3N2O6/c24-23(25,26)19-17(20(29)28(27-19)13-5-3-4-12(10-13)21(30)31)11-14-8-9-18(34-14)15-6-1-2-7-16(15)22(32)33/h1-11H,(H,30,31)(H,32,33)/b17-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176801 (CHEMBL3810366) Show SMILES CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1cc(Cl)ccc1C(O)=O)c1cccc(c1)C(O)=O |t:1| Show InChI InChI=1S/C23H15ClN2O6/c1-12-18(21(27)26(25-12)15-4-2-3-13(9-15)22(28)29)11-16-6-8-20(32-16)19-10-14(24)5-7-17(19)23(30)31/h2-11H,1H3,(H,28,29)(H,30,31)/b18-11-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50176802 (CHEMBL3810109) Show SMILES OC(=O)c1cccc(c1)N1N=C(\C(=C\c2ccc(o2)-c2cc(Cl)ccc2C(O)=O)C1=O)C(F)(F)F |c:11| Show InChI InChI=1S/C23H12ClF3N2O6/c24-12-4-6-15(22(33)34)16(9-12)18-7-5-14(35-18)10-17-19(23(25,26)27)28-29(20(17)30)13-3-1-2-11(8-13)21(31)32/h1-10H,(H,31,32)(H,33,34)/b17-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Academia Sinica Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus recombinant 3CL-PRO expressed in Escherichia coli JM109 cells using Dabcyl-KTSAVLQSGFRKME-Edans as fluorogenic substra...				Bioorg Med Chem 24: 3035-3042 (2016) Article DOI: 10.1016/j.bmc.2016.05.013 BindingDB Entry DOI: 10.7270/Q2ZK5JK9
					More data for this Ligand-Target Pair