Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'ojeda' and Initial = 'i'   

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 [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 (Middle East respiratory syndrome-related coronavir...)	BDBM50523945 (CHEMBL4475926) Show SMILES Cc1cc(C)n(c(=O)n1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H13N3O3S/c1-8-7-9(2)15(12(16)14-8)19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.66E+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 MERS-CoV papain-like protease using varying levels of Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate by Dixon-plot analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50523946 (ONO-1078) Show SMILES O=C(NC1=CC=CC2C1OC(=CC2=O)c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1 |c:5,11,t:3| Show InChI InChI=1S/C27H25N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17,21,25H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.27E+5	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 MERS-CoV papain-like protease using varying levels of Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate by Dixon-plot analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					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 [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 [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 (Middle East respiratory syndrome-related coronavir...)	BDBM50523945 (CHEMBL4475926) Show SMILES Cc1cc(C)n(c(=O)n1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H13N3O3S/c1-8-7-9(2)15(12(16)14-8)19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+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 MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50523946 (ONO-1078) Show SMILES O=C(NC1=CC=CC2C1OC(=CC2=O)c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1 |c:5,11,t:3| Show InChI InChI=1S/C27H25N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17,21,25H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+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 MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50001908 (1-(4-Nitro-phenyl)-piperazine | CHEMBL165012) Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCNCC1 Show InChI InChI=1S/C10H13N3O2/c14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11H,5-8H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.16E+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 MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					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
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
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50523947 (CHEMBL4447423) Show SMILES Nc1ccc(cn1)[N+]([O-])=O Show InChI InChI=1S/C5H5N3O2/c6-5-2-1-4(3-7-5)8(9)10/h1-3H,(H2,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+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 MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50523948 (CHEBI:78878 | CHEMBL1743207) Show SMILES [O-][N+](=O)c1ccc(Cl)c2nonc12 Show InChI InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.41E+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 MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50523949 (4-Nitrocatechol | CHEBI:16318) Show SMILES Oc1ccc(cc1O)[N+]([O-])=O Show InChI InChI=1S/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.45E+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 MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50192743 (3,4-Dihydroxybenzaldehyde | CHEBI:50205 | Protocat...) Show SMILES Oc1ccc(C=O)cc1O Show InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.39E+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 MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50384265 (CHEMBL2030452) Show SMILES Cc1ccc(C)c(CSc2nc(C3CCCCC3)c(C#N)c(=O)[nH]2)c1 Show InChI InChI=1S/C20H23N3OS/c1-13-8-9-14(2)16(10-13)12-25-20-22-18(15-6-4-3-5-7-15)17(11-21)19(24)23-20/h8-10,15H,3-7,12H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to MERS-CoV papain-like protease by SPR analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM97231 (2-[(E)-2-(4-morpholin-4-ylphenyl)ethenyl]quinoline...) Show SMILES OC(=O)c1cc(\C=C\c2ccc(cc2)N2CCOCC2)nc2ccccc12 Show InChI InChI=1S/C22H20N2O3/c25-22(26)20-15-17(23-21-4-2-1-3-19(20)21)8-5-16-6-9-18(10-7-16)24-11-13-27-14-12-24/h1-10,15H,11-14H2,(H,25,26)/b8-5+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to MERS-CoV papain-like protease by SPR analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50192743 (3,4-Dihydroxybenzaldehyde | CHEBI:50205 | Protocat...) Show SMILES Oc1ccc(C=O)cc1O Show InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to MERS-CoV papain-like protease by SPR analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50523945 (CHEMBL4475926) Show SMILES Cc1cc(C)n(c(=O)n1)S(=O)(=O)c1ccc(N)cc1 Show InChI InChI=1S/C12H13N3O3S/c1-8-7-9(2)15(12(16)14-8)19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to MERS-CoV papain-like protease by SPR analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50523950 (CHEMBL1368663) Show SMILES COCC(=O)\C=C1/Sc2ccccc2N1C Show InChI InChI=1S/C12H13NO2S/c1-13-10-5-3-4-6-11(10)16-12(13)7-9(14)8-15-2/h3-7H,8H2,1-2H3/b12-7-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to MERS-CoV papain-like protease by SPR analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50103596 ((E)-2-hydroxy-5-((4-(N-pyridin-2-ylsulfamoyl)-phen...) Show SMILES OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1 Show InChI InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)/b21-20+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to MERS-CoV papain-like protease by SPR analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50523946 (ONO-1078) Show SMILES O=C(NC1=CC=CC2C1OC(=CC2=O)c1nn[nH]n1)c1ccc(OCCCCc2ccccc2)cc1 |c:5,11,t:3| Show InChI InChI=1S/C27H25N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17,21,25H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to MERS-CoV papain-like protease by SPR analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					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
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
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))	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 MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.14E+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 (Middle East respiratory syndrome-related coronavir...)	BDBM50523944 (CHEMBL4544405) Show SMILES [#6]-n1c(-[#7]\[#7]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)nc2n(-[#6])c(=O)n(-[#6])c(=O)c12 Show InChI InChI=1S/C12H12N8O5/c1-18-5-6(19(2)12(25)20(3)9(5)23)13-10(18)17-16-4-7(21)14-11(24)15-8(4)22/h1-3H3,(H,13,17)(H2,14,15,21,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to MERS-CoV papain-like protease by SPR analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050 BindingDB Entry DOI: 10.7270/Q20868RT
					More data for this Ligand-Target Pair