Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'townsend' and Initial = 'ja'   

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
Replicase polyprotein 1ab (2019-nCoV)	BDBM429328 (ALP-POS-c59291d4-6 | CVD-0006355 | jm5b01461, Comp...) Show SMILES CC(C)(C)NC(=O)C(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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602444 (CHEMBL5206501) Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM420296 (Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...) Show SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM509972 (Advanced SARS-CoV-2 Inhibitor 6e | acs.jmedchem.1c...) Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |wU:22.22,24.24,wD:14.14,(-2.6,-5.27,;-1.26,-6.04,;.07,-5.27,;1.41,-6.04,;2.74,-5.27,;2.74,-3.73,;4.07,-2.96,;5.41,-3.73,;5.41,-5.27,;4.07,-6.04,;6.73,-2.93,;8.07,-3.67,;8.1,-5.21,;9.39,-2.88,;10.74,-3.62,;10.77,-5.16,;12.12,-5.91,;12.15,-7.45,;13.44,-5.11,;12.06,-2.83,;12.03,-1.29,;13.41,-3.57,;14.73,-2.78,;14.7,-1.24,;16.01,-.44,;17.41,-1.09,;18.46,.03,;17.72,1.38,;16.2,1.09,;15.08,2.14,;16.07,-3.52,;16.1,-5.06,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM509973 (Advanced SARS-CoV-2 Inhibitor 6j | acs.jmedchem.1c...) Show SMILES CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM448319 (GC-376 | GC376) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=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?/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	0.560	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM448319 (GC-376 | GC376) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=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?/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	0.990	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM429100 (MPI8 | jm5b01461, Compound 45) Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509973 (Advanced SARS-CoV-2 Inhibitor 6j | acs.jmedchem.1c...) Show SMILES CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM420296 (Advanced SARS-CoV-2 Inhibitor 11a | MPI10 | acs.jm...) Show SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H32N4O4/c30-15-19(13-18-10-11-26-23(18)31)27-24(32)21(12-16-6-2-1-3-7-16)29-25(33)22-14-17-8-4-5-9-20(17)28-22/h4-5,8-9,14-16,18-19,21,28H,1-3,6-7,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18-,19-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509972 (Advanced SARS-CoV-2 Inhibitor 6e | acs.jmedchem.1c...) Show SMILES CCCCC1CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |wU:22.22,24.24,wD:14.14,(-2.6,-5.27,;-1.26,-6.04,;.07,-5.27,;1.41,-6.04,;2.74,-5.27,;2.74,-3.73,;4.07,-2.96,;5.41,-3.73,;5.41,-5.27,;4.07,-6.04,;6.73,-2.93,;8.07,-3.67,;8.1,-5.21,;9.39,-2.88,;10.74,-3.62,;10.77,-5.16,;12.12,-5.91,;12.15,-7.45,;13.44,-5.11,;12.06,-2.83,;12.03,-1.29,;13.41,-3.57,;14.73,-2.78,;14.7,-1.24,;16.01,-.44,;17.41,-1.09,;18.46,.03,;17.72,1.38,;16.2,1.09,;15.08,2.14,;16.07,-3.52,;16.1,-5.06,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM448319 (GC-376 | GC376) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=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?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509983 (Jun9-57-3R) Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)-c1ccccc1)c1cnccn1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM510003 (Jun9-89-4R) Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)C(Cl)(Br)Br)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM448319 (GC-376 | GC376) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=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?/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	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM510005 (Jun9-88-6R) Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)C(Br)(Br)Br)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509997 (Jun9-89-2R) Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)C(Br)Br)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccc(Br)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM429100 (MPI8 | jm5b01461, Compound 45) Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509981 (Jun9-59-1) Show SMILES C[C@H](NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1ccccc1)c1cnccn1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509980 (Jun9-54-1) Show SMILES C[C@H](NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM429100 (MPI8 | jm5b01461, Compound 45) Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/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	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602444 (CHEMBL5206501) Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509985 (Jun9-57-2) Show SMILES ClCC(=O)N(C(C(=O)NC1CC1)c1cccnc1)c1ccc(cc1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM429100 (MPI8 | jm5b01461, Compound 45) Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C32H48N4O7/c1-21(43-32(2,3)4)27(36-31(41)42-20-23-13-9-6-10-14-23)30(40)35-26(17-22-11-7-5-8-12-22)29(39)34-25(19-37)18-24-15-16-33-28(24)38/h6,9-10,13-14,19,21-22,24-27H,5,7-8,11-12,15-18,20H2,1-4H3,(H,33,38)(H,34,39)(H,35,40)(H,36,41)/t21?,24-,25-,26-,27-/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	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602445 (CHEMBL5207542) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cnccn1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509986 (Jun9-55-1) Show SMILES ClCC(=O)N(C(C(=O)NC1CCCC1)c1cccnc1)c1ccc(cc1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509993 (Jun9-90-3R) Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)C(Cl)Cl)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccc(Br)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509982 (Jun9-55-2) Show SMILES ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1ccc(cc1)-c1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509991 (Jun9-62-2R) Show SMILES C[C@H](NC(=O)[C@H](N(C(=O)C(Cl)Cl)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509995 (Jun9-90-4R) Show SMILES C[C@@H](CCc1ccccc1)NC(=O)[C@H](N(C(=O)C(Cl)Cl)c1ccc(cc1)-c1ccccc1)c1cccnc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602446 (CHEMBL5178131) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)C1CCCCC1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602447 (CHEMBL5169554) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1cccs1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602448 (CHEMBL5186431) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602449 (CHEMBL5201613) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)-c1ccccc1)c1cnccn1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602450 (CHEMBL5172431) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccno1)c1ccc(cc1)C1CCCCC1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602451 (CHEMBL5189062) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-n1cccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602452 (CHEMBL5208393) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1c[nH]cn1)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602453 (CHEMBL5179577) Show SMILES O=C(NCCCc1ccccc1)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509984 (Jun9-57-3S) Show SMILES C[C@H](NC(=O)[C@@H](N(C(=O)CCl)c1ccc(cc1)-n1cccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509979 (Jun9-62-1) Show SMILES CC#CC(=O)N(C(C(=O)N[C@@H](C)c1ccccc1)c1cccnc1)c1ccc(cc1)-c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM510002 (Jun9-89-3) Show SMILES C[C@H](NC(=O)C(N(C(=O)C(Cl)(Cl)Br)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	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
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602454 (CHEMBL5204664) Show SMILES O=C(NCC(c1ccccc1)c1ccccc1)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602455 (CHEMBL5175491) Show SMILES C[C@H](NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccn1)c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602456 (CHEMBL5198265) Show SMILES [#6]-[#6@H](-[#7]-[#6](=O)-[#6](-[#7](-[#6](=O)-c1ccco1)-c1ccc(cc1)[Si;v4]([#6])([#6])[#6])-c1cccnc1)-c1ccccc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602457 (CHEMBL5195867) Show SMILES CC(C)(C)CC(C)(C)NC(=O)C(N(C(=O)c1ccco1)c1ccc(cc1)-c1ccccc1)c1cccnc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM50602458 (CHEMBL5180821) Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)c1ccco1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00509 BindingDB Entry DOI: 10.7270/Q2765KD5
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509998 (Jun9-89-2S) Show SMILES C[C@H](NC(=O)[C@@H](N(C(=O)C(Br)Br)c1ccc(cc1)-c1ccccc1)c1cccnc1)c1ccc(Br)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description FRET-based enzymatic assay.				Citation and Details Article DOI: 10.1021/jacs.1c08060 BindingDB Entry DOI: 10.7270/Q2BK1GHG
					More data for this Ligand-Target Pair

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