Compile Data Set for Download or QSAR

Found 51 hits with Last Name = 'gatuz' and Initial = 'jl'   

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
ORF1a (Middle East respiratory syndrome coronavirus (Viru...)	BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.60E+3	n/a	6.20E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of Illinois at Chicago					Assay Description done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Mixed-type inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate assessed as enzyme-substrate-inhibitor co...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Mixed-type inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate assessed as enzyme-inhibitor complex by D...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV))	BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.15E+4	n/a	1.09E+4	n/a	n/a	n/a	n/a	7.5	n/a
University of Illinois at Chicago					Assay Description done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM47844 (4-chloranyl-N-(1-methylbenzimidazol-5-yl)benzamide...) Show SMILES Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C15H12ClN3O/c1-19-9-17-13-8-12(6-7-14(13)19)18-15(20)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Competitive inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate by Dixon plot analysis				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495206 (CHEMBL3105073) Show SMILES Clc1cc(CSC(=S)NCc2cccnc2)c(Cl)s1 Show InChI InChI=1S/C12H10Cl2N2S3/c13-10-4-9(11(14)19-10)7-18-12(17)16-6-8-2-1-3-15-5-8/h1-5H,6-7H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV))	BDBM31524 (5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...) Show SMILES C[C@@H](NC(=O)c1cc(N)ccc1C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C20H20N2O/c1-13-10-11-16(21)12-19(13)20(23)22-14(2)17-9-5-7-15-6-3-4-8-18(15)17/h3-12,14H,21H2,1-2H3,(H,22,23)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	7.5	n/a
University of Illinois at Chicago					Assay Description done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495212 (CHEMBL1876821) Show SMILES CN(CC(=O)NC1CCCC1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C14H19ClN2O3S/c1-17(10-14(18)16-12-6-2-3-7-12)21(19,20)13-8-4-5-11(15)9-13/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV))	BDBM50007789 (CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...) Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	7.5	n/a
University of Illinois at Chicago					Assay Description done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV))	BDBM31530 (2-methyl-5-[(methylamino)methyl]-N-[(1R)-1-(naphth...) Show SMILES CNCc1ccc(C)c(c1)C(=O)N[C@H](C)c1cccc2ccccc12 |r| Show InChI InChI=1S/C22H24N2O/c1-15-11-12-17(14-23-3)13-21(15)22(25)24-16(2)19-10-6-8-18-7-4-5-9-20(18)19/h4-13,16,23H,14H2,1-3H3,(H,24,25)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of Illinois at Chicago					Assay Description done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair				3D Structure (docked)
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV))	BDBM50007789 (CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...) Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of Illinois at Chicago					Assay Description The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV))	BDBM154574 (N-(2H-1,3-benzodioxol-5-ylmethyl)-1-[(1S)-1-(napht...) Show SMILES C[C@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of Illinois at Chicago					Assay Description done in a single pass in black 384-well plates (Matrix Technologies). The SARS-PLpro enzyme (20 nM final concentration) was prepared in an assay buff...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495206 (CHEMBL3105073) Show SMILES Clc1cc(CSC(=S)NCc2cccnc2)c(Cl)s1 Show InChI InChI=1S/C12H10Cl2N2S3/c13-10-4-9(11(14)19-10)7-18-12(17)16-6-8-2-1-3-15-5-8/h1-5H,6-7H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495205 (CHEMBL3105074) Show SMILES Brc1cncc(c1)C(=O)N1CCN(Cc2ccsc2)CC1 Show InChI InChI=1S/C15H16BrN3OS/c16-14-7-13(8-17-9-14)15(20)19-4-2-18(3-5-19)10-12-1-6-21-11-12/h1,6-9,11H,2-5,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495204 (CHEMBL1478361) Show SMILES COc1ccc(cc1)N(CC(=O)NCc1ccco1)S(C)(=O)=O Show InChI InChI=1S/C15H18N2O5S/c1-21-13-7-5-12(6-8-13)17(23(2,19)20)11-15(18)16-10-14-4-3-9-22-14/h3-9H,10-11H2,1-2H3,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495214 (ALEXIDINE DIHYDROCHLORIDE | Alexidine.Dihydrochlor...) Show SMILES Cl.Cl.CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC Show InChI InChI=1S/C26H56N10.2ClH/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;;/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);2*1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM47844 (4-chloranyl-N-(1-methylbenzimidazol-5-yl)benzamide...) Show SMILES Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C15H12ClN3O/c1-19-9-17-13-8-12(6-7-14(13)19)18-15(20)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495214 (ALEXIDINE DIHYDROCHLORIDE | Alexidine.Dihydrochlor...) Show SMILES Cl.Cl.CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC Show InChI InChI=1S/C26H56N10.2ClH/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;;/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);2*1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495205 (CHEMBL3105074) Show SMILES Brc1cncc(c1)C(=O)N1CCN(Cc2ccsc2)CC1 Show InChI InChI=1S/C15H16BrN3OS/c16-14-7-13(8-17-9-14)15(20)19-4-2-18(3-5-19)10-12-1-6-21-11-12/h1,6-9,11H,2-5,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495214 (ALEXIDINE DIHYDROCHLORIDE | Alexidine.Dihydrochlor...) Show SMILES Cl.Cl.CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC Show InChI InChI=1S/C26H56N10.2ClH/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2;;/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36);2*1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495210 (CHEMBL1488602) Show SMILES COCCOCCn1c(CCCO)nc2ccccc12 Show InChI InChI=1S/C15H22N2O3/c1-19-11-12-20-10-8-17-14-6-3-2-5-13(14)16-15(17)7-4-9-18/h2-3,5-6,18H,4,7-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM47844 (4-chloranyl-N-(1-methylbenzimidazol-5-yl)benzamide...) Show SMILES Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C15H12ClN3O/c1-19-9-17-13-8-12(6-7-14(13)19)18-15(20)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495211 (CHEMBL3105075) Show SMILES C(\C=C\c1ccccc1)[N+]1(C\C=C\c2ccccc2)CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H37N2/c1-5-15-31(16-6-1)19-13-27-37(28-14-20-32-17-7-2-8-18-32)29-25-36(26-30-37)35(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-24,35H,25-30H2/q+1/b19-13+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495203 (CHEMBL1906723) Show SMILES COc1ccc(cc1)C(=O)Cn1c(NCCO)nc2ccccc12 Show InChI InChI=1S/C18H19N3O3/c1-24-14-8-6-13(7-9-14)17(23)12-21-16-5-3-2-4-15(16)20-18(21)19-10-11-22/h2-9,22H,10-12H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495207 (CHEMBL3105072) Show SMILES Nc1ccc(F)c(c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H10F4N2O2S/c14-11-5-4-9(18)7-12(11)22(20,21)19-10-3-1-2-8(6-10)13(15,16)17/h1-7,19H,18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495211 (CHEMBL3105075) Show SMILES C(\C=C\c1ccccc1)[N+]1(C\C=C\c2ccccc2)CCN(CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C35H37N2/c1-5-15-31(16-6-1)19-13-27-37(28-14-20-32-17-7-2-8-18-32)29-25-36(26-30-37)35(33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1-24,35H,25-30H2/q+1/b19-13+,20-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495213 (CHEMBL3105071) Show SMILES COc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C17H20N2O4S/c1-13(19-24(21,22)15-9-4-3-5-10-15)17(20)18-12-14-8-6-7-11-16(14)23-2/h3-11,13,19H,12H2,1-2H3,(H,18,20)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.99E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM47844 (4-chloranyl-N-(1-methylbenzimidazol-5-yl)benzamide...) Show SMILES Cn1cnc2cc(NC(=O)c3ccc(Cl)cc3)ccc12 Show InChI InChI=1S/C15H12ClN3O/c1-19-9-17-13-8-12(6-7-14(13)19)18-15(20)10-2-4-11(16)5-3-10/h2-9H,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495203 (CHEMBL1906723) Show SMILES COc1ccc(cc1)C(=O)Cn1c(NCCO)nc2ccccc12 Show InChI InChI=1S/C18H19N3O3/c1-24-14-8-6-13(7-9-14)17(23)12-21-16-5-3-2-4-15(16)20-18(21)19-10-11-22/h2-9,22H,10-12H2,1H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495204 (CHEMBL1478361) Show SMILES COc1ccc(cc1)N(CC(=O)NCc1ccco1)S(C)(=O)=O Show InChI InChI=1S/C15H18N2O5S/c1-21-13-7-5-12(6-8-13)17(23(2,19)20)11-15(18)16-10-14-4-3-9-22-14/h3-9H,10-11H2,1-2H3,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495209 (CHEMBL1732790) Show SMILES OCCCc1nc2ccccc2n1CCOc1ccccc1 Show InChI InChI=1S/C18H20N2O2/c21-13-6-11-18-19-16-9-4-5-10-17(16)20(18)12-14-22-15-7-2-1-3-8-15/h1-5,7-10,21H,6,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495208 (CHEMBL1392147) Show SMILES CCOc1ccc(cc1C)S(=O)(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C17H19NO5S/c1-3-21-15-7-5-14(8-12(15)2)24(19,20)18-10-13-4-6-16-17(9-13)23-11-22-16/h4-9,18H,3,10-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Dihydroorotase (Bacillus anthracis (Firmicute))	BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	n/a
University of Illinois at Chicago					Assay Description The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair
ORF1a (Middle East respiratory syndrome coronavirus (Viru...)	BDBM50007789 (CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...) Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	n/a
University of Illinois at Chicago					Assay Description The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM50007789 (CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...) Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	n/a
University of Illinois at Chicago					Assay Description The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair
Genome polyprotein (Hepatitis C Virus (Virus))	BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	n/a
University of Illinois at Chicago					Assay Description The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair
Dihydroorotase (Bacillus anthracis (Firmicute))	BDBM50007789 (CHEMBL1173044 | GRL-0667 | N-(2H-1,3-benzodioxol-5...) Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc2OCOc2c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C26H28N2O3/c1-18(22-8-4-6-20-5-2-3-7-23(20)22)28-13-11-21(12-14-28)26(29)27-16-19-9-10-24-25(15-19)31-17-30-24/h2-10,15,18,21H,11-14,16-17H2,1H3,(H,27,29)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	7.5	n/a
University of Illinois at Chicago					Assay Description The fluorogenic substrate used in this study was ubiquitin-AMC (Boston Biochem). All assays were performed in 384-well black plates (Corning) in a to...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495210 (CHEMBL1488602) Show SMILES COCCOCCn1c(CCCO)nc2ccccc12 Show InChI InChI=1S/C15H22N2O3/c1-19-11-12-20-10-8-17-14-6-3-2-5-13(14)16-15(17)7-4-9-18/h2-3,5-6,18H,4,7-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.86E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495213 (CHEMBL3105071) Show SMILES COc1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C17H20N2O4S/c1-13(19-24(21,22)15-9-4-3-5-10-15)17(20)18-12-14-8-6-7-11-16(14)23-2/h3-11,13,19H,12H2,1-2H3,(H,18,20)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495212 (CHEMBL1876821) Show SMILES CN(CC(=O)NC1CCCC1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C14H19ClN2O3S/c1-17(10-14(18)16-12-6-2-3-7-12)21(19,20)13-8-4-5-11(15)9-13/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495209 (CHEMBL1732790) Show SMILES OCCCc1nc2ccccc2n1CCOc1ccccc1 Show InChI InChI=1S/C18H20N2O2/c21-13-6-11-18-19-16-9-4-5-10-17(16)20(18)12-14-22-15-7-2-1-3-8-15/h1-5,7-10,21H,6,11-14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495208 (CHEMBL1392147) Show SMILES CCOc1ccc(cc1C)S(=O)(=O)NCc1ccc2OCOc2c1 Show InChI InChI=1S/C17H19NO5S/c1-3-21-15-7-5-14(8-12(15)2)24(19,20)18-10-13-4-6-16-17(9-13)23-11-22-16/h4-9,18H,3,10-11H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM50495207 (CHEMBL3105072) Show SMILES Nc1ccc(F)c(c1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H10F4N2O2S/c14-11-5-4-9(18)7-12(11)22(20,21)19-10-3-1-2-8(6-10)13(15,16)17/h1-7,19H,18H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate by SPR analysis				Bioorg Med Chem 22: 167-77 (2014) Article DOI: 10.1016/j.bmc.2013.11.041 BindingDB Entry DOI: 10.7270/Q2G73HPP
					More data for this Ligand-Target Pair
ORF1a (Middle East respiratory syndrome coronavirus (Viru...)	BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.84E+4	n/a	n/a	n/a	7.4	n/a
University of Illinois at Chicago					Assay Description Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfac...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair
ORF1a (Middle East respiratory syndrome coronavirus (Viru...)	BDBM154575 (3-chloro-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-o...) Show SMILES CCOc1cccc2cc(oc12)-c1nnc(NC(=O)c2sc3ccccc3c2Cl)o1 Show InChI InChI=1S/C21H14ClN3O4S/c1-2-27-13-8-5-6-11-10-14(28-17(11)13)20-24-25-21(29-20)23-19(26)18-16(22)12-7-3-4-9-15(12)30-18/h3-10H,2H2,1H3,(H,23,25,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.99E+4	n/a	n/a	n/a	7.4	n/a
University of Illinois at Chicago					Assay Description Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfac...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab [1541-1855] (Human SARS coronavirus (SARS-CoV))	BDBM154573 (8-(trifluoromethyl)-9H-purin-6-amine (4) | acs.jme...) Show SMILES Nc1ncnc2[nH]c(nc12)C(F)(F)F Show InChI InChI=1S/C6H4F3N5/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H3,10,11,12,13,14)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.63E+4	n/a	n/a	n/a	7.4	n/a
University of Illinois at Chicago					Assay Description Each PLpro enzyme was immobilized on a CM5 sensor chip using standard aminecoupling with running buffer HBS-P (10 mM HEPES, 150 mM NaCl, 0.05% surfac...				ACS Chem Biol 10: 1456-65 (2015) Article DOI: 10.1021/cb500917m BindingDB Entry DOI: 10.7270/Q2086426
					More data for this Ligand-Target Pair

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