Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'youn' and Initial = 'hs'   

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
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184391 ((R,Z)-2-(2-(hydroxymethyl)-4-(3-isobutyl-5-methylh...) Show SMILES CC(C)CC(C\C=C1\C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-/t22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107112 ((Z) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184395 (5-hexanoyloxymethyl-5-hydroxymethyl-3-[(Z)-3-isobu...) Show SMILES CCCCCC(=O)OCC1(CO)C\C(=C\CC(CC(C)C)CC(C)C)C(=O)O1 Show InChI InChI=1S/C23H40O5/c1-6-7-8-9-21(25)27-16-23(15-24)14-20(22(26)28-23)11-10-19(12-17(2)3)13-18(4)5/h11,17-19,24H,6-10,12-16H2,1-5H3/b20-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107118 (3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C26H46O5/c1-17(2)11-21(12-18(3)4)9-10-22-14-26(15-27,31-25(22)29)16-30-24(28)13-23(19(5)6)20(7)8/h10,17-21,23,27H,9,11-16H2,1-8H3/b22-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107120 ((E) 2,2-Dimethyl-propionic acid 2-hydroxymethyl-4-...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C22H38O5/c1-15(2)10-17(11-16(3)4)8-9-18-12-22(13-23,27-19(18)24)14-26-20(25)21(5,6)7/h9,15-17,23H,8,10-14H2,1-7H3/b18-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184385 (5-hydroxymethyl-3-[(Z)-3-isobutyl-5-methylhexylide...) Show SMILES CCCCCCCC(=O)OCC1(CO)C\C(=C\CC(CC(C)C)CC(C)C)C(=O)O1 Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-23(27)29-18-25(17-26)16-22(24(28)30-25)13-12-21(14-19(2)3)15-20(4)5/h13,19-21,26H,6-12,14-18H2,1-5H3/b22-13-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184380 (5-hydroxymethyl-3-[(E)-3-isobutyl-5-methylhexylide...) Show SMILES CCCCCCCC(=O)OCC1(CO)C\C(=C/CC(CC(C)C)CC(C)C)C(=O)O1 Show InChI InChI=1S/C25H44O5/c1-6-7-8-9-10-11-23(27)29-18-25(17-26)16-22(24(28)30-25)13-12-21(14-19(2)3)15-20(4)5/h13,19-21,26H,6-12,14-18H2,1-5H3/b22-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184382 (5-hexanoyloxymethyl-5-hydroxymethyl-3-[(E)-3-isobu...) Show SMILES CCCCCC(=O)OCC1(CO)C\C(=C/CC(CC(C)C)CC(C)C)C(=O)O1 Show InChI InChI=1S/C23H40O5/c1-6-7-8-9-21(25)27-16-23(15-24)14-20(22(26)28-23)11-10-19(12-17(2)3)13-18(4)5/h11,17-19,24H,6-10,12-16H2,1-5H3/b20-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184390 (5-benzoyloxymethyl-5-hydroxymethyl-3-[(Z)-3-isobut...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)c2ccccc2)OC1=O)CC(C)C Show InChI InChI=1S/C24H34O5/c1-17(2)12-19(13-18(3)4)10-11-21-14-24(15-25,29-23(21)27)16-28-22(26)20-8-6-5-7-9-20/h5-9,11,17-19,25H,10,12-16H2,1-4H3/b21-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184388 (5-hydroxymethyl-3-[(Z)-3-isobutyl-5-methylhexylide...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C28H50O5/c1-19(2)11-23(12-20(3)4)9-10-25-16-28(17-29,33-27(25)31)18-32-26(30)15-24(13-21(5)6)14-22(7)8/h10,19-24,29H,9,11-18H2,1-8H3/b25-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50107116 (3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethy...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C26H46O5/c1-17(2)11-21(12-18(3)4)9-10-22-14-26(15-27,31-25(22)29)16-30-24(28)13-23(19(5)6)20(7)8/h10,17-21,23,27H,9,11-16H2,1-8H3/b22-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184383 (5-benzoyloxymethyl-5-hydroxymethyl-3-[(E)-3-isobut...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(COC(=O)c2ccccc2)OC1=O)CC(C)C Show InChI InChI=1S/C24H34O5/c1-17(2)12-19(13-18(3)4)10-11-21-14-24(15-25,29-23(21)27)16-28-22(26)20-8-6-5-7-9-20/h5-9,11,17-19,25H,10,12-16H2,1-4H3/b21-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184392 (5-[(E)-3-(tert-butoxy)-3-oxo-1-propenyl]-5-hydroxy...) Show SMILES CC(C)CC(C\C=C1\CC(CO)(OC1=O)\C=C\C(=O)OC(C)(C)C)CC(C)C Show InChI InChI=1S/C23H38O5/c1-16(2)12-18(13-17(3)4)8-9-19-14-23(15-24,28-21(19)26)11-10-20(25)27-22(5,6)7/h9-11,16-18,24H,8,12-15H2,1-7H3/b11-10+,19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184384 (6-hydroxymethyl-3-[(Z)-3-isobutyl-5-methylhexylide...) Show SMILES CC(C)CC(C\C=C1\CCC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C23H40O5/c1-16(2)12-18(13-17(3)4)8-9-19-10-11-23(14-24,28-20(19)25)15-27-21(26)22(5,6)7/h9,16-18,24H,8,10-15H2,1-7H3/b19-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184394 (6-hydroxymethyl-3-[(E)-3-isobutyl-5-methylhexylide...) Show SMILES CC(C)CC(C\C=C1/CCC(CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C Show InChI InChI=1S/C23H40O5/c1-16(2)12-18(13-17(3)4)8-9-19-10-11-23(14-24,28-20(19)25)15-27-21(26)22(5,6)7/h9,16-18,24H,8,10-15H2,1-7H3/b19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184386 (6-hydroxymethyl-3-[(E)-3-isobutyl-5-methylhexylide...) Show SMILES CCCCCCCC(=O)OCC1(CO)CC\C(=C/CC(CC(C)C)CC(C)C)C(=O)O1 Show InChI InChI=1S/C26H46O5/c1-6-7-8-9-10-11-24(28)30-19-26(18-27)15-14-23(25(29)31-26)13-12-22(16-20(2)3)17-21(4)5/h13,20-22,27H,6-12,14-19H2,1-5H3/b23-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	129	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184381 (6-hydroxymethyl-3-[(E)-3-isobutyl-5-methylhexylide...) Show SMILES CCCCCC(=O)OCC1(CO)CC\C(=C/CC(CC(C)C)CC(C)C)C(=O)O1 Show InChI InChI=1S/C24H42O5/c1-6-7-8-9-22(26)28-17-24(16-25)13-12-21(23(27)29-24)11-10-20(14-18(2)3)15-19(4)5/h11,18-20,25H,6-10,12-17H2,1-5H3/b21-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	147	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184389 (5-[(E)-3-(tert-butoxy)-3-oxo-1-propenyl]-5-hydroxy...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(OC1=O)\C=C\C(=O)OC(C)(C)C)CC(C)C Show InChI InChI=1S/C23H38O5/c1-16(2)12-18(13-17(3)4)8-9-19-14-23(15-24,28-21(19)26)11-10-20(25)27-22(5,6)7/h9-11,16-18,24H,8,12-15H2,1-7H3/b11-10+,19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	173	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184387 (5-(hydroxymethyl)-5-(pivaloyloxymethyl)-3,3-bis(3-...) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]C1([#6]\[#6]=[#6](\[#6])-[#6])[#6]C([#6]-[#8])([#6]-[#8]-[#6](=O)C([#6])([#6])[#6])[#8]-[#6]1=O Show InChI InChI=1S/C21H34O5/c1-15(2)8-10-20(11-9-16(3)4)12-21(13-22,26-18(20)24)14-25-17(23)19(5,6)7/h8-9,22H,10-14H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184379 (5-(hydroxymethyl)-5-(pivaloyloxymethyl)-3,3-bis(3-...) Show SMILES CC(C)CCC1(CCC(C)C)CC(CO)(COC(=O)C(C)(C)C)OC1=O Show InChI InChI=1S/C21H38O5/c1-15(2)8-10-20(11-9-16(3)4)12-21(13-22,26-18(20)24)14-25-17(23)19(5,6)7/h15-16,22H,8-14H2,1-7H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.83E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50184393 (5-[(Z)-3-(tert-butoxy)-3-oxo-1-propenyl]-5-hydroxy...) Show SMILES CC(C)CC(C\C=C1/CC(CO)(OC1=O)\C=C/C(=O)OC(C)(C)C)CC(C)C Show InChI InChI=1S/C23H38O5/c1-16(2)12-18(13-17(3)4)8-9-19-14-23(15-24,28-21(19)26)11-10-20(25)27-22(5,6)7/h9-11,16-18,24H,8,12-15H2,1-7H3/b11-10-,19-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.17E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine				J Med Chem 49: 2028-36 (2006) Article DOI: 10.1021/jm0509391 BindingDB Entry DOI: 10.7270/Q27D2TQ1
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM419133 (BDBM429386 | GC376) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476968 (SARS-CoV-2 3CLP and CoV inhibitor 15h) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1c(cccc1C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C34H36F6N4O7/c1-17(2)13-24(44-31(48)25-15-19-22(42-25)10-5-11-27(19)50-3)30(47)43-23(14-18-7-6-12-41-29(18)46)26(45)16-51-32(49)28-20(33(35,36)37)8-4-9-21(28)34(38,39)40/h4-5,8-11,15,17-18,23-24,42H,6-7,12-14,16H2,1-3H3,(H,41,46)(H,43,47)(H,44,48)/t18-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476970 (SARS-CoV-2 3CLP and CoV inhibitor 15j) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1cccnc1 Show InChI InChI=1S/C31H37N5O7/c1-18(2)13-24(36-30(40)25-15-21-22(34-25)9-4-10-27(21)42-3)29(39)35-23(14-19-7-6-12-33-28(19)38)26(37)17-43-31(41)20-8-5-11-32-16-20/h4-5,8-11,15-16,18-19,23-24,34H,6-7,12-14,17H2,1-3H3,(H,33,38)(H,35,39)(H,36,40)/t19-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476967 (SARS-CoV-2 3CLP and CoV inhibitor 15g) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1c(Cl)cccc1Cl Show InChI InChI=1S/C32H36Cl2N4O7/c1-17(2)13-24(38-31(42)25-15-19-22(36-25)10-5-11-27(19)44-3)30(41)37-23(14-18-7-6-12-35-29(18)40)26(39)16-45-32(43)28-20(33)8-4-9-21(28)34/h4-5,8-11,15,17-18,23-24,36H,6-7,12-14,16H2,1-3H3,(H,35,40)(H,37,41)(H,38,42)/t18-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50594616 (CHEMBL5170425) Show SMILES COc1cc(Cl)cc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476964 (SARS-CoV-2 3CLP and CoV inhibitor 15d) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)C1(C)OCCCO1 Show InChI InChI=1S/C31H42N4O9/c1-18(2)14-23(35-29(39)24-16-20-21(33-24)9-5-10-26(20)41-4)28(38)34-22(15-19-8-6-11-32-27(19)37)25(36)17-42-30(40)31(3)43-12-7-13-44-31/h5,9-10,16,18-19,22-23,33H,6-8,11-15,17H2,1-4H3,(H,32,37)(H,34,38)(H,35,39)/t19-,22-,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50594612 (CHEMBL5185160) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476973 (SARS-CoV-2 3CLP and CoV inhibitor 15m) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1c(C)nc(C)cc1C(F)(F)F Show InChI InChI=1S/C34H40F3N5O7/c1-17(2)12-25(42-32(46)26-15-21-23(40-26)9-6-10-28(21)48-5)31(45)41-24(14-20-8-7-11-38-30(20)44)27(43)16-49-33(47)29-19(4)39-18(3)13-22(29)34(35,36)37/h6,9-10,13,15,17,20,24-25,40H,7-8,11-12,14,16H2,1-5H3,(H,38,44)(H,41,45)(H,42,46)/t20-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50594614 (CHEMBL5190756) Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(OC(F)(F)F)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM582824 (US11524940, Compound 1149) Show SMILES COc1cc(Cl)cc2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476972 (SARS-CoV-2 3CLP and CoV inhibitor 15l) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1c(C)cc(C)nc1C Show InChI InChI=1S/C34H43N5O7/c1-18(2)13-26(39-33(43)27-16-23-24(37-27)10-7-11-29(23)45-6)32(42)38-25(15-22-9-8-12-35-31(22)41)28(40)17-46-34(44)30-19(3)14-20(4)36-21(30)5/h7,10-11,14,16,18,22,25-26,37H,8-9,12-13,15,17H2,1-6H3,(H,35,41)(H,38,42)(H,39,43)/t22-,25-,26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476959 (SARS-CoV-2 3CLP and CoV inhibitor 5) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)CO Show InChI InChI=1S/C25H34N4O6/c1-14(2)10-19(29-25(34)20-12-16-17(27-20)7-4-8-22(16)35-3)24(33)28-18(21(31)13-30)11-15-6-5-9-26-23(15)32/h4,7-8,12,14-15,18-19,27,30H,5-6,9-11,13H2,1-3H3,(H,26,32)(H,28,33)(H,29,34)/t15-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476959 (SARS-CoV-2 3CLP and CoV inhibitor 5) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)CO Show InChI InChI=1S/C25H34N4O6/c1-14(2)10-19(29-25(34)20-12-16-17(27-20)7-4-8-22(16)35-3)24(33)28-18(21(31)13-30)11-15-6-5-9-26-23(15)32/h4,7-8,12,14-15,18-19,27,30H,5-6,9-11,13H2,1-3H3,(H,26,32)(H,28,33)(H,29,34)/t15-,18-,19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476963 (SARS-CoV-2 3CLP and CoV inhibitor 15c) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)C(C)(C)C(F)(F)F Show InChI InChI=1S/C30H39F3N4O7/c1-16(2)12-21(37-27(41)22-14-18-19(35-22)9-6-10-24(18)43-5)26(40)36-20(13-17-8-7-11-34-25(17)39)23(38)15-44-28(42)29(3,4)30(31,32)33/h6,9-10,14,16-17,20-21,35H,7-8,11-13,15H2,1-5H3,(H,34,39)(H,36,40)(H,37,41)/t17-,20-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476974 (SARS-CoV-2 3CLP and CoV inhibitor 15n) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1c(C)nc(C)nc1C Show InChI InChI=1S/C33H42N6O7/c1-17(2)13-25(39-32(43)26-15-22-23(37-26)10-7-11-28(22)45-6)31(42)38-24(14-21-9-8-12-34-30(21)41)27(40)16-46-33(44)29-18(3)35-20(5)36-19(29)4/h7,10-11,15,17,21,24-25,37H,8-9,12-14,16H2,1-6H3,(H,34,41)(H,38,42)(H,39,43)/t21-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476962 (SARS-CoV-2 3CLP and CoV inhibitor 15b) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)C(C)(C)C#N Show InChI InChI=1S/C30H39N5O7/c1-17(2)12-22(35-28(39)23-14-19-20(33-23)9-6-10-25(19)41-5)27(38)34-21(13-18-8-7-11-32-26(18)37)24(36)15-42-29(40)30(3,4)16-31/h6,9-10,14,17-18,21-22,33H,7-8,11-13,15H2,1-5H3,(H,32,37)(H,34,38)(H,35,39)/t18-,21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM419133 (BDBM429386 | GC376) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S([O-])(=O)=O Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/p-1/t15?,16-,17-,20?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50594615 (CHEMBL5204224) Show SMILES CCOc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476971 (SARS-CoV-2 3CLP and CoV inhibitor 15k) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1ccncc1 Show InChI InChI=1S/C31H37N5O7/c1-18(2)14-24(36-30(40)25-16-21-22(34-25)7-4-8-27(21)42-3)29(39)35-23(15-20-6-5-11-33-28(20)38)26(37)17-43-31(41)19-9-12-32-13-10-19/h4,7-10,12-13,16,18,20,23-24,34H,5-6,11,14-15,17H2,1-3H3,(H,33,38)(H,35,39)(H,36,40)/t20-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM423462 (US11753373, Compound A-5-a | WO2006061714, P38.2 |...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C23H30N4O5/c1-13(2)9-18(22(30)25-15(12-28)10-14-7-8-24-21(14)29)27-23(31)19-11-16-17(26-19)5-4-6-20(16)32-3/h4-6,11-15,18,26H,7-10H2,1-3H3,(H,24,29)(H,25,30)(H,27,31)/t14-,15-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496896 (US11312704, Compound 101 | US11351149, Example 49 ...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N Show InChI InChI=1S/C23H29N5O4/c1-13(2)9-18(22(30)26-15(12-24)10-14-7-8-25-21(14)29)28-23(31)19-11-16-17(27-19)5-4-6-20(16)32-3/h4-6,11,13-15,18,27H,7-10H2,1-3H3,(H,25,29)(H,26,30)(H,28,31)/t14-,15-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50594613 (CHEMBL5189649) Show SMILES CC(C)C[C@H](NC(=O)c1cc2c3OCCc3ccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM476972 (SARS-CoV-2 3CLP and CoV inhibitor 15l) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1c(C)cc(C)nc1C Show InChI InChI=1S/C34H43N5O7/c1-18(2)13-26(39-33(43)27-16-23-24(37-27)10-7-11-29(23)45-6)32(42)38-25(15-22-9-8-12-35-31(22)41)28(40)17-46-34(44)30-19(3)14-20(4)36-21(30)5/h7,10-11,14,16,18,22,25-26,37H,8-9,12-13,15,17H2,1-6H3,(H,35,41)(H,38,42)(H,39,43)/t22-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM423462 (US11753373, Compound A-5-a | WO2006061714, P38.2 |...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C23H30N4O5/c1-13(2)9-18(22(30)25-15(12-28)10-14-7-8-24-21(14)29)27-23(31)19-11-16-17(26-19)5-4-6-20(16)32-3/h4-6,11-15,18,26H,7-10H2,1-3H3,(H,24,29)(H,25,30)(H,27,31)/t14-,15-,18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00247c BindingDB Entry DOI: 10.7270/Q2HH6Q3R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476966 (SARS-CoV-2 3CLP and CoV inhibitor 15f) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1ccccc1 Show InChI InChI=1S/C32H38N4O7/c1-19(2)15-25(36-31(40)26-17-22-23(34-26)12-7-13-28(22)42-3)30(39)35-24(16-21-11-8-14-33-29(21)38)27(37)18-43-32(41)20-9-5-4-6-10-20/h4-7,9-10,12-13,17,19,21,24-25,34H,8,11,14-16,18H2,1-3H3,(H,33,38)(H,35,39)(H,36,40)/t21-,24-,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476961 (SARS-CoV-2 3CLP and CoV inhibitor 15a) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)C(C)(C)C Show InChI InChI=1S/C30H42N4O7/c1-17(2)13-22(34-28(38)23-15-19-20(32-23)10-7-11-25(19)40-6)27(37)33-21(14-18-9-8-12-31-26(18)36)24(35)16-41-29(39)30(3,4)5/h7,10-11,15,17-18,21-22,32H,8-9,12-14,16H2,1-6H3,(H,31,36)(H,33,37)(H,34,38)/t18-,21-,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476975 (SARS-CoV-2 3CLP and CoV inhibitor 15o) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)c1c(C)nn(C)c1C Show InChI InChI=1S/C32H42N6O7/c1-17(2)13-24(36-31(42)25-15-21-22(34-25)10-7-11-27(21)44-6)30(41)35-23(14-20-9-8-12-33-29(20)40)26(39)16-45-32(43)28-18(3)37-38(5)19(28)4/h7,10-11,15,17,20,23-24,34H,8-9,12-14,16H2,1-6H3,(H,33,40)(H,35,41)(H,36,42)/t20-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM476965 (SARS-CoV-2 3CLP and CoV inhibitor 15e) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C(=O)COC(=O)C1(CCCCC1)C(F)(F)F Show InChI InChI=1S/C33H43F3N4O7/c1-19(2)15-24(40-30(44)25-17-21-22(38-25)10-7-11-27(21)46-3)29(43)39-23(16-20-9-8-14-37-28(20)42)26(41)18-47-31(45)32(33(34,35)36)12-5-4-6-13-32/h7,10-11,17,19-20,23-24,38H,4-6,8-9,12-16,18H2,1-3H3,(H,37,42)(H,39,43)(H,40,44)/t20-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
University of Alberta					Assay Description Pure SARS-CoV-2 3CLP was obtained as previously described in detail, and the enzymatic activity was confirmed according to an established protocol; s...				J Med Chem (2021) Article DOI: 10.1021/acs.jmedchem.1c00616 BindingDB Entry DOI: 10.7270/Q2BP05WB
					More data for this Ligand-Target Pair

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