Compile Data Set for Download or QSAR

Found 118 hits Enz. Inhib. hit(s) with Target = 'Papain-like protease (PLpro)'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50188381 (5-iodo-1-(naphthalen-2-ylmethyl)indoline-2,3-dione...) Show SMILES Ic1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C19H12INO2/c20-15-7-8-17-16(10-15)18(22)19(23)21(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of SARS CoV 3C-like protease				J Med Chem 49: 3440-3 (2006) Article DOI: 10.1021/jm0602357 BindingDB Entry DOI: 10.7270/Q2TD9WZX
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM246524 (Psoralidin (5)) Show SMILES CC(C)=CCc1cc2c3oc4cc(O)ccc4c3c(=O)oc2cc1O Show InChI InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase MCE KEGG PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	4.20E+3	n/a	n/a	n/a	n/a	8.0	n/a
Gyeongsang National University					Assay Description Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...				J Enzyme Inhib Med Chem 29: 59-63 (2014) Article DOI: 10.3109/14756366.2012.753591 BindingDB Entry DOI: 10.7270/Q21835FQ
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM31712 (HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...) Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Taiwan University					Assay Description Kinetic parameters were obtained using various concentrations of FRET peptide in the fluorescent assay. The maximal velocity (Vmax) and Michaelis–Men...				Biochem Biophys Res Commun 333: 194-9 (2005) Article DOI: 10.1016/j.bbrc.2005.05.095 BindingDB Entry DOI: 10.7270/Q2N58PRD
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM246523 (4'-O-methylbavachalcone (4)) Show SMILES COc1cc(O)c(cc1CC=C(C)C)C(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C21H22O4/c1-14(2)4-8-16-12-18(20(24)13-21(16)25-3)19(23)11-7-15-5-9-17(22)10-6-15/h4-7,9-13,22,24H,8H2,1-3H3/b11-7+	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase DrugBank PC cid PC sid PDB UniChem	Article PubMed	4.60E+3	n/a	1.01E+4	n/a	n/a	n/a	n/a	8.0	n/a
Gyeongsang National University					Assay Description Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...				J Enzyme Inhib Med Chem 29: 59-63 (2014) Article DOI: 10.3109/14756366.2012.753591 BindingDB Entry DOI: 10.7270/Q21835FQ
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50441633 (4-Hydroxyisocordoin | ISOBAVACHALCONE | Isobacacha...) Show SMILES CC(C)=CCc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O Show InChI InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	7.30E+3	n/a	n/a	n/a	n/a	8.0	n/a
Gyeongsang National University					Assay Description Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...				J Enzyme Inhib Med Chem 29: 59-63 (2014) Article DOI: 10.3109/14756366.2012.753591 BindingDB Entry DOI: 10.7270/Q21835FQ
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM53072 ((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...) Show SMILES CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O Show InChI InChI=1S/C15H14N2OS3/c1-3-9-17-13(18)12(21-15(17)19)14-16(4-2)10-7-5-6-8-11(10)20-14/h3,5-8H,1,4,9H2,2H3/b14-12-	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM246522 (Neobavaisoflavone (2)) Show SMILES CC(C)=CCc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O Show InChI InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase MCE PC cid PC sid UniChem	Article PubMed	9.40E+3	n/a	1.83E+4	n/a	n/a	n/a	n/a	8.0	n/a
Gyeongsang National University					Assay Description Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...				J Enzyme Inhib Med Chem 29: 59-63 (2014) Article DOI: 10.3109/14756366.2012.753591 BindingDB Entry DOI: 10.7270/Q21835FQ
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50391431 (CHEMBL2146517 | acs.jmedchem.1c00409_ST.502) Show SMILES COC(=O)[C@@]1(C)CCCc2c1ccc1-c3occ(C)c3C(=O)C(=O)c21 Show InChI InChI=1S/C20H18O5/c1-10-9-25-18-12-6-7-13-11(15(12)17(22)16(21)14(10)18)5-4-8-20(13,2)19(23)24-3/h6-7,9H,4-5,8H2,1-3H3/t20-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM83922 (1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21 Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50423877 (DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...) Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM246525 (Corylifol A (6)) Show SMILES CC(C)=CCC\C(C)=C/Cc1cc(ccc1O)-c1coc2cc(O)ccc2c1=O Show InChI InChI=1S/C25H26O4/c1-16(2)5-4-6-17(3)7-8-19-13-18(9-12-23(19)27)22-15-29-24-14-20(26)10-11-21(24)25(22)28/h5,7,9-15,26-27H,4,6,8H2,1-3H3/b17-7-	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid UniChem	Article PubMed	1.14E+4	n/a	3.23E+4	n/a	n/a	n/a	n/a	8.0	n/a
Gyeongsang National University					Assay Description Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...				J Enzyme Inhib Med Chem 29: 59-63 (2014) Article DOI: 10.3109/14756366.2012.753591 BindingDB Entry DOI: 10.7270/Q21835FQ
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50055220 (1-Benzyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxy...) Show SMILES NC(=O)c1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C16H12N2O3/c17-15(20)11-6-7-13-12(8-11)14(19)16(21)18(13)9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,17,20)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of SARS CoV 3C-like protease				J Med Chem 49: 3440-3 (2006) Article DOI: 10.1021/jm0602357 BindingDB Entry DOI: 10.7270/Q2TD9WZX
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM51317 (1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12 Show InChI InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	1.37E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM246521 (Bavachinin (1)) Show SMILES COc1cc2OC(CC(=O)c2cc1CC=C(C)C)c1ccc(O)cc1 Show InChI InChI=1S/C21H22O4/c1-13(2)4-5-15-10-17-18(23)11-20(14-6-8-16(22)9-7-14)25-21(17)12-19(15)24-3/h4,6-10,12,20,22H,5,11H2,1-3H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid UniChem	Article PubMed	1.84E+4	n/a	3.84E+4	n/a	n/a	n/a	n/a	8.0	n/a
Gyeongsang National University					Assay Description Reactions were performed in a total volume of 200 mL, which contained thefollowing components: 20mM Tris-buffer, pH 8.0, 10mM DTT, 30 mM Z-RLRGG-AMC,...				J Enzyme Inhib Med Chem 29: 59-63 (2014) Article DOI: 10.3109/14756366.2012.753591 BindingDB Entry DOI: 10.7270/Q21835FQ
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50188383 (1-butyl-2,3-dioxoindoline-5-carboxamide | CHEMBL37...) Show SMILES CCCCN1C(=O)C(=O)c2cc(ccc12)C(N)=O Show InChI InChI=1S/C13H14N2O3/c1-2-3-6-15-10-5-4-8(12(14)17)7-9(10)11(16)13(15)18/h4-5,7H,2-3,6H2,1H3,(H2,14,17)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of SARS CoV 3C-like protease				J Med Chem 49: 3440-3 (2006) Article DOI: 10.1021/jm0602357 BindingDB Entry DOI: 10.7270/Q2TD9WZX
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50009219 (2-isopropyl-8,8-dimethyl-5,6,7,8-tetrahydrophenant...) Show SMILES CC(C)C1=Cc2ccc3c(CCCC3(C)C)c2C(=O)C1=O Show InChI InChI=1S/C19H22O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h7-8,10-11H,5-6,9H2,1-4H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50391429 (CHEMBL215254 | acs.jmedchem.1c00409_ST.620) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(CO)c3ccc-21 Show InChI InChI=1S/C19H18O4/c1-10-8-23-18-12-5-6-13-11(4-3-7-19(13,2)9-20)15(12)17(22)16(21)14(10)18/h5-6,8,20H,3-4,7,9H2,1-2H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Time dependent inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate at 3 to 100 uM up to ...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50133617 (1-Benzyl-5-iodo-1H-indole-2,3-dione | 1-benzyl-5-i...) Show SMILES Ic1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C15H10INO2/c16-11-6-7-13-12(8-11)14(18)15(19)17(13)9-10-4-2-1-3-5-10/h1-8H,9H2	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of SARS CoV 3C-like protease				J Med Chem 49: 3440-3 (2006) Article DOI: 10.1021/jm0602357 BindingDB Entry DOI: 10.7270/Q2TD9WZX
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50188384 (1-butyl-5-iodoindoline-2,3-dione | CHEMBL209287 | ...) Show SMILES CCCCN1C(=O)C(=O)c2cc(I)ccc12 Show InChI InChI=1S/C12H12INO2/c1-2-3-6-14-10-5-4-8(13)7-9(10)11(15)12(14)16/h4-5,7H,2-3,6H2,1H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.61E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of SARS CoV 3C-like protease				J Med Chem 49: 3440-3 (2006) Article DOI: 10.1021/jm0602357 BindingDB Entry DOI: 10.7270/Q2TD9WZX
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50055216 (1-Methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-carboxy...) Show SMILES CN1C(=O)C(=O)c2cc(ccc12)C(N)=O Show InChI InChI=1S/C10H8N2O3/c1-12-7-3-2-5(9(11)14)4-6(7)8(13)10(12)15/h2-4H,1H3,(H2,11,14)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of SARS CoV 3C-like protease				J Med Chem 49: 3440-3 (2006) Article DOI: 10.1021/jm0602357 BindingDB Entry DOI: 10.7270/Q2TD9WZX
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50208940 (5-bromo-pyridin-3-yl furan-2-carboxylate | 5-bromo...) Show SMILES Brc1cncc(OC(=O)c2ccco2)c1 Show InChI InChI=1S/C10H6BrNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM32805 ((5-chloranylpyridin-3-yl) furan-2-carboxylate | (5...) Show SMILES Clc1cncc(OC(=O)c2ccco2)c1 Show InChI InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50208942 (5-chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-car...) Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Oc1cncc(Cl)c1 Show InChI InChI=1S/C16H9Cl2NO3/c17-11-3-1-10(2-4-11)14-5-6-15(22-14)16(20)21-13-7-12(18)8-19-9-13/h1-9H	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50208939 (5-chloro-pyridin-3-yl-1H-indole-2-carboxylate | 5-...) Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3[nH]2)c1 Show InChI InChI=1S/C14H9ClN2O2/c15-10-6-11(8-16-7-10)19-14(18)13-5-9-3-1-2-4-12(9)17-13/h1-8,17H	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50208941 (5-chloropyridin-3-yl benzo[b]thiophene-2-carboxyla...) Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3s2)c1 Show InChI InChI=1S/C14H8ClNO2S/c15-10-6-11(8-16-7-10)18-14(17)13-5-9-3-1-2-4-12(9)19-13/h1-8H	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50007791 (CHEMBL3233815 | med.21724, Compound 168) Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(F)c1)c1cccc2ccccc12 Show InChI InChI=1S/C25H27FN2O/c1-18(23-11-5-8-20-7-2-3-10-24(20)23)28-14-12-21(13-15-28)25(29)27-17-19-6-4-9-22(26)16-19/h2-11,16,18,21H,12-15,17H2,1H3,(H,27,29)/t18-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50208943 (5-chloropyridin-3-yl benzofuran-2-carboxylate | CH...) Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3o2)c1 Show InChI InChI=1S/C14H8ClNO3/c15-10-6-11(8-16-7-10)18-14(17)13-5-9-3-1-2-4-12(9)19-13/h1-8H	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50208938 (5-chloropyridin-3-yl thiazole-4-carboxylate | 5-ch...) Show SMILES Clc1cncc(OC(=O)c2cscn2)c1 Show InChI InChI=1S/C9H5ClN2O2S/c10-6-1-7(3-11-2-6)14-9(13)8-4-15-5-12-8/h1-5H	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (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 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 Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50208944 (5-chloropyridin-3-yl 3-methoxybenzoate | 5-chlorop...) Show SMILES COc1cccc(c1)C(=O)Oc1cncc(Cl)c1 Show InChI InChI=1S/C13H10ClNO3/c1-17-11-4-2-3-9(5-11)13(16)18-12-6-10(14)7-15-8-12/h2-8H,1H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta Curated by ChEMBL					Assay Description Inhibition of SARS coronavirus 3C-like protease				J Med Chem 50: 1850-64 (2007) Article DOI: 10.1021/jm061425k BindingDB Entry DOI: 10.7270/Q2RN37HR
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50055218 (1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...) Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of SARS CoV 3C-like protease				J Med Chem 49: 3440-3 (2006) Article DOI: 10.1021/jm0602357 BindingDB Entry DOI: 10.7270/Q2TD9WZX
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50007788 (CHEMBL3233809 | med.21724, Compound 167) Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1cccc(NC(C)=O)c1)c1cccc2ccccc12 Show InChI InChI=1S/C27H31N3O2/c1-19(25-12-6-9-22-8-3-4-11-26(22)25)30-15-13-23(14-16-30)27(32)28-18-21-7-5-10-24(17-21)29-20(2)31/h3-12,17,19,23H,13-16,18H2,1-2H3,(H,28,32)(H,29,31)/t19-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM31531 (Substituted Benzamide Derivative, 2 | med.21724, C...) Show SMILES C[C@@H](NC(=O)c1cc(CN)ccc1C)c1cccc2ccccc12 Show InChI InChI=1S/C21H22N2O/c1-14-10-11-16(13-22)12-20(14)21(24)23-15(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-12,15H,13,22H2,1-2H3,(H,23,24)/t15-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50007790 (CHEMBL3233814 | med.21724, Compound 169) Show SMILES C[C@@H](N1CCC(CC1)C(=O)NCc1ccc(F)cc1)c1cccc2ccccc12 Show InChI InChI=1S/C25H27FN2O/c1-18(23-8-4-6-20-5-2-3-7-24(20)23)28-15-13-21(14-16-28)25(29)27-17-19-9-11-22(26)12-10-19/h2-12,18,21H,13-17H2,1H3,(H,27,29)/t18-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM31523 (Compound 6 | Naphthalene and Benzamide Derivative,...) Show SMILES C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1C)c1cccc2ccccc12 Show InChI InChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Papain-like protease (PLpro) (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 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 Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (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 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 Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM51317 (1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dion...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12 Show InChI InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of SARS-CoV PLpro deubiququitination expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence a...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM53072 ((5Z)-3-allyl-5-(3-ethyl-1,3-benzothiazol-2-ylidene...) Show SMILES CCN1\C(Sc2ccccc12)=C1\SC(=S)N(CC=C)C1=O Show InChI InChI=1S/C15H14N2OS3/c1-3-9-17-13(18)12(21-15(17)19)14-16(4-2)10-7-5-6-8-11(10)20-14/h3,5-8H,1,4,9H2,2H3/b14-12-	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluoresc...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM83922 (1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21 Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM419127 (3CLpro inhibitor 6e) Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C24H43N3O8S/c1-4-5-6-16-7-9-18(10-8-16)35-24(31)27-19(13-15(2)3)22(29)26-20(23(30)36(32,33)34)14-17-11-12-25-21(17)28/h15-20,23,30H,4-14H2,1-3H3,(H,25,28)(H,26,29)(H,27,31)(H,32,33,34)/p-1/t16?,17?,18?,19-,20-,23?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Wichita State University					Assay Description The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...				Sci Transl Med 12: (2020) Article DOI: 10.1126/scitranslmed.abc5332 BindingDB Entry DOI: 10.7270/Q21J9D52
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50167307 (1-Benzo[b]thiophen-2-ylmethyl-5-iodo-1H-indole-2,3...) Show SMILES Ic1ccc2N(Cc3cc4ccccc4s3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C17H10INO2S/c18-11-5-6-14-13(8-11)16(20)17(21)19(14)9-12-7-10-3-1-2-4-15(10)22-12/h1-8H,9H2	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	950	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description In vitro inhibitory concentration against SARS coronavirus main protease (SARS CoV 3C-like protease)				Bioorg Med Chem Lett 15: 3058-62 (2005) Article DOI: 10.1016/j.bmcl.2005.04.027 BindingDB Entry DOI: 10.7270/Q2H131JB
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50167309 (1-Benzo[b]thiophen-2-ylmethyl-7-bromo-1H-indole-2,...) Show SMILES Brc1cccc2C(=O)C(=O)N(Cc3cc4ccccc4s3)c12 Show InChI InChI=1S/C17H10BrNO2S/c18-13-6-3-5-12-15(13)19(17(21)16(12)20)9-11-8-10-4-1-2-7-14(10)22-11/h1-8H,9H2	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	980	n/a	n/a	n/a	n/a	n/a	n/a
Development Center for Biotechnology Curated by ChEMBL					Assay Description In vitro inhibitory concentration SARS coronavirus main protease (SARS CoV 3C-like protease)				Bioorg Med Chem Lett 15: 3058-62 (2005) Article DOI: 10.1016/j.bmcl.2005.04.027 BindingDB Entry DOI: 10.7270/Q2H131JB
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM419128 (3CLpro inhibitor 7e) Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC1CCNC1=O)C=O Show InChI InChI=1S/C24H41N3O5/c1-4-5-6-17-7-9-20(10-8-17)32-24(31)27-21(13-16(2)3)23(30)26-19(15-28)14-18-11-12-25-22(18)29/h15-21H,4-14H2,1-3H3,(H,25,29)(H,26,30)(H,27,31)/t17?,18?,19-,20?,21-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wichita State University					Assay Description The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...				Sci Transl Med 12: (2020) Article DOI: 10.1126/scitranslmed.abc5332 BindingDB Entry DOI: 10.7270/Q21J9D52
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM419131 (3CLpro inhibitor 6j | 3CLpro inhibitor 7j) Show SMILES CC(C)C[C@@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t14?,15-,16-,19?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wichita State University					Assay Description The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...				Sci Transl Med 12: (2020) Article DOI: 10.1126/scitranslmed.abc5332 BindingDB Entry DOI: 10.7270/Q21J9D52
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM50423877 (DIHYDROTANSHINONE | Dihydrotanshinone I | acs.jmed...) Show SMILES C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c(C)cccc12 Show InChI InChI=1S/C18H14O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-7,10H,8H2,1-2H3/t10-/m0/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of SARS-CoV PLpro deubiququitination expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate by fluorescence a...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM419131 (3CLpro inhibitor 6j | 3CLpro inhibitor 7j) Show SMILES CC(C)C[C@@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@H](CC1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H35F2N3O8S/c1-12(2)9-15(26-20(30)34-11-13-3-6-21(22,23)7-4-13)18(28)25-16(19(29)35(31,32)33)10-14-5-8-24-17(14)27/h12-16,19,29H,3-11H2,1-2H3,(H,24,27)(H,25,28)(H,26,30)(H,31,32,33)/p-1/t14?,15-,16-,19?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wichita State University					Assay Description The expression and purification of the 3CLpro of MERS-CoV and SARS-CoV were performed by a standard method described previously by our lab (11, 19, 2...				Sci Transl Med 12: (2020) Article DOI: 10.1126/scitranslmed.abc5332 BindingDB Entry DOI: 10.7270/Q21J9D52
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (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 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 Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				Med Res Rev (2020) Article DOI: 10.1002/med.21724 BindingDB Entry DOI: 10.7270/Q2JS9ST6
					More data for this Ligand-Target Pair
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM429329 (acs.jmedchem.1c00409_ST.265 | jm5b01461, Compound ...) Show SMILES CC(C)(C)NC(=O)[C@H](N(C(=O)c1ccco1)c1ccc(cc1)C(C)(C)C)c1cccnc1 Show InChI InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)/t22-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn					Assay Description This is a review article.				J Med Chem 59: 6595-628 (2016) Article DOI: 10.1021/acs.jmedchem.5b01461 BindingDB Entry DOI: 10.7270/Q2PK0JH1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Papain-like protease (PLpro) (Human SARS coronavirus (SARS-CoV))	BDBM83922 (1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]be...) Show SMILES Cc1coc-2c1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc-21 Show InChI InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of SARS-CoV PLpro expressed in Escherichia coli BL21 (DE3) using Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 30 mins by fluoresc...				Bioorg Med Chem 20: 5928-35 (2012) Article DOI: 10.1016/j.bmc.2012.07.038 BindingDB Entry DOI: 10.7270/Q2QF8TZ4
					More data for this Ligand-Target Pair

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