Compile Data Set for Download or QSAR

Found 87 hits Enz. Inhib. hit(s) with all data for entry = 9880   

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 (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM429360 (acs.jmedchem.1c00409_ST.31 | cmdc.202100576, 4a | ...) Show SMILES OB(O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)B(O)O)cc1 Show InChI InChI=1S/C20H16B2N4O10/c27-19(11-5-13(21(29)30)9-17(7-11)25(33)34)23-15-1-2-16(4-3-15)24-20(28)12-6-14(22(31)32)10-18(8-12)26(35)36/h1-10,29-32H,(H,23,27)(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496899 (TG-0204998 | cmdc.202100576, 5f) Show SMILES COC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)NC(=O)C(C)(C)C Show InChI InChI=1S/C33H49N5O8/c1-20(2)17-25(29(41)36-24(13-14-26(39)45-7)18-23-15-16-34-28(23)40)37-30(42)27(21(3)35-31(43)33(4,5)6)38-32(44)46-19-22-11-9-8-10-12-22/h8-14,20-21,23-25,27H,15-19H2,1-7H3,(H,34,40)(H,35,43)(H,36,41)(H,37,42)(H,38,44)/b14-13+/t21?,23-,24+,25-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496895 (TG-0203770 | cmdc.202100576, 5b) Show SMILES CCOC(=O)\C=C\[C@@H](C[C@H]1CCNC1=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26-,28-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496898 (TG-0205486 | cmdc.202100576, 5e) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)\C=C\C(=O)OC1CC1 Show InChI InChI=1S/C34H50N4O8/c1-21(2)18-27(31(41)36-25(19-24-16-17-35-30(24)40)12-15-28(39)45-26-13-14-26)37-32(42)29(22(3)46-34(4,5)6)38-33(43)44-20-23-10-8-7-9-11-23/h7-12,15,21-22,24-27,29H,13-14,16-20H2,1-6H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/b15-12+/t22?,24-,25+,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11231 (N-[(benzyloxy)carbonyl]-L-valyl-N1-((1S,2E)-4-etho...) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C30H44N4O7/c1-6-40-25(35)13-12-23(17-22-14-15-31-27(22)36)32-28(37)24(16-19(2)3)33-29(38)26(20(4)5)34-30(39)41-18-21-10-8-7-9-11-21/h7-13,19-20,22-24,26H,6,14-18H2,1-5H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/b13-12+/t22-,23+,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11230 (AG7088 analogue 2d | CHEMBL277716 | N-[(benzyloxy)...) Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C |r| Show InChI InChI=1S/C33H42N4O7/c1-4-43-28(38)16-15-26(20-25-17-18-34-30(25)39)35-31(40)27(19-23-11-7-5-8-12-23)36-32(41)29(22(2)3)37-33(42)44-21-24-13-9-6-10-14-24/h5-16,22,25-27,29H,4,17-21H2,1-3H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b16-15+/t25-,26+,27-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.26E+3	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496893 (FL-172 | cmdc.202100576, 4d) Show SMILES OB(O)c1cc(O)cc(c1)C(O)=O Show InChI InChI=1S/C7H7BO5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9,12-13H,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496892 (FL-171 | cmdc.202100576, 4c) Show SMILES Nc1cc(cc(c1)C(=O)OCc1cccc(c1)B(O)O)B(O)O Show InChI InChI=1S/C14H15B2NO6/c17-13-6-10(5-12(7-13)16(21)22)14(18)23-8-9-2-1-3-11(4-9)15(19)20/h1-7,19-22H,8,17H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					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	4.40E+3	n/a	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496872 (FL-078 | cmdc.202100576, 4b) Show SMILES OB(O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1ccc(OC(=O)c2cc(cc(c2)[N+]([O-])=O)B(O)O)cc1 Show InChI InChI=1S/C20H14B2N2O12/c25-19(11-5-13(21(27)28)9-15(7-11)23(31)32)35-17-1-2-18(4-3-17)36-20(26)12-6-14(22(29)30)10-16(8-12)24(33)34/h1-10,27-30H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496894 (FL-107 | cmdc.202100576, 4e) Show SMILES OB(O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Oc1c(Cl)cc(Cl)cc1[N+]([O-])=O Show InChI InChI=1S/C13H7BCl2N2O8/c15-8-4-10(16)12(11(5-8)18(24)25)26-13(19)6-1-7(14(20)21)3-9(2-6)17(22)23/h1-5,20-21H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM496959 (cmdc.202100576, 23b) Show SMILES O=C(N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(=O)NC1CCCCC1)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C33H44N4O6/c38-29(33(42)35-24-14-5-2-6-15-24)25(19-23-13-9-17-34-30(23)39)36-31(40)26(18-21-10-3-1-4-11-21)37-32(41)28-20-22-12-7-8-16-27(22)43-28/h7-8,12,16,20-21,23-26H,1-6,9-11,13-15,17-19H2,(H,34,39)(H,35,42)(H,36,40)(H,37,41)/t23-,25-,26-/m0/s1	PDB UniProtKB/SwissProt 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM496960 (cmdc.202100576, 23c) Show SMILES O=C(N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(=O)NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C34H35N5O5/c40-30(34(44)36-21-23-12-5-2-6-13-23)27(20-25-15-9-17-35-31(25)41)38-32(42)28(18-22-10-3-1-4-11-22)39-33(43)29-19-24-14-7-8-16-26(24)37-29/h1-8,10-14,16,19,25,27-28,37H,9,15,17-18,20-21H2,(H,35,41)(H,36,44)(H,38,42)(H,39,43)/t25-,27-,28-/m0/s1	PDB UniProtKB/SwissProt 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM496961 (cmdc.202100576, 23d) Show SMILES O=C(N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(=O)NCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 Show InChI InChI=1S/C34H34N6O5/c41-30(34(45)37-20-23-12-5-2-6-13-23)27(19-24-14-9-17-35-31(24)42)39-32(43)28(18-22-10-3-1-4-11-22)40-33(44)29-21-36-25-15-7-8-16-26(25)38-29/h1-8,10-13,15-16,21,24,27-28H,9,14,17-20H2,(H,35,42)(H,37,45)(H,39,43)(H,40,44)/t24-,27-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM496962 (cmdc.202100576, 23e) Show SMILES O=C(N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(=O)NCc1ccccc1)[C@H](CC1CCCCC1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C34H41N5O5/c40-30(34(44)36-21-23-12-5-2-6-13-23)27(20-25-15-9-17-35-31(25)41)38-32(42)28(18-22-10-3-1-4-11-22)39-33(43)29-19-24-14-7-8-16-26(24)37-29/h2,5-8,12-14,16,19,22,25,27-28,37H,1,3-4,9-11,15,17-18,20-21H2,(H,35,41)(H,36,44)(H,38,42)(H,39,43)/t25-,27-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PDB UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM496963 (cmdc.202100576, 23f) Show SMILES O=C(N[C@@H](C[C@@H]1CCCNC1=O)C(=O)C(=O)NCc1ccccc1)[C@H](CC1CCCCC1)NC(=O)c1cnc2ccccc2n1 Show InChI InChI=1S/C34H40N6O5/c41-30(34(45)37-20-23-12-5-2-6-13-23)27(19-24-14-9-17-35-31(24)42)39-32(43)28(18-22-10-3-1-4-11-22)40-33(44)29-21-36-25-15-7-8-16-26(25)38-29/h2,5-8,12-13,15-16,21-22,24,27-28H,1,3-4,9-11,14,17-20H2,(H,35,42)(H,37,45)(H,39,43)(H,40,44)/t24-,27-,28-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496954 (cmdc.202100576, 22b) Show SMILES CC(C)(C)NC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccc(OCN2CCOCC2)cc1 Show InChI InChI=1S/C47H62N6O9/c1-47(2,3)52-45(58)41(54)38(28-35-20-21-48-42(35)55)49-43(56)39(26-31-10-5-4-6-11-31)50-44(57)40(27-34-14-9-13-33-12-7-8-15-37(33)34)51-46(59)61-29-32-16-18-36(19-17-32)62-30-53-22-24-60-25-23-53/h7-9,12-19,31,35,38-40H,4-6,10-11,20-30H2,1-3H3,(H,48,55)(H,49,56)(H,50,57)(H,51,59)(H,52,58)/t35-,38-,39-,40-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496955 (cmdc.202100576, 22c) Show SMILES COC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C Show InChI InChI=1S/C30H45N5O8/c1-17(2)14-23(27(38)33-22(15-21-12-13-31-26(21)37)25(36)29(40)32-18(3)4)34-28(39)24(19(5)42-6)35-30(41)43-16-20-10-8-7-9-11-20/h7-11,17-19,21-24H,12-16H2,1-6H3,(H,31,37)(H,32,40)(H,33,38)(H,34,39)(H,35,41)/t19?,21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496956 (cmdc.202100576, 22d) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CN(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)(C)C Show InChI InChI=1S/C31H48N6O7/c1-19(2)15-23(34-28(41)24(17-37(6)7)35-30(43)44-18-20-11-9-8-10-12-20)27(40)33-22(16-21-13-14-32-26(21)39)25(38)29(42)36-31(3,4)5/h8-12,19,21-24H,13-18H2,1-7H3,(H,32,39)(H,33,40)(H,34,41)(H,35,43)(H,36,42)/t21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496957 (cmdc.202100576, 22e) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CN1CCOCC1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C Show InChI InChI=1S/C32H48N6O8/c1-20(2)16-25(29(41)35-24(17-23-10-11-33-28(23)40)27(39)31(43)34-21(3)4)36-30(42)26(18-38-12-14-45-15-13-38)37-32(44)46-19-22-8-6-5-7-9-22/h5-9,20-21,23-26H,10-19H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,37,44)/t23-,24-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496958 (cmdc.202100576, 22f) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CN1CCC(F)CC1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C Show InChI InChI=1S/C33H49FN6O7/c1-20(2)16-26(30(43)37-25(17-23-10-13-35-29(23)42)28(41)32(45)36-21(3)4)38-31(44)27(18-40-14-11-24(34)12-15-40)39-33(46)47-19-22-8-6-5-7-9-22/h5-9,20-21,23-27H,10-19H2,1-4H3,(H,35,42)(H,36,45)(H,37,43)(H,38,44)(H,39,46)/t23-,25-,26-,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM423466 (WO2006061714, P39.1 | WO2006061714-ID-11 | cmdc.20...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C26H38N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,14,16-17,19-22H,10-13,15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423465 (US11753373, Compound A-1-c | WO2006061714, P38.8 |...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C22H28N4O4/c1-13(2)9-18(21(29)24-16(12-27)10-15-7-8-23-20(15)28)26-22(30)19-11-14-5-3-4-6-17(14)25-19/h3-6,11-13,15-16,18,25H,7-10H2,1-2H3,(H,23,28)(H,24,29)(H,26,30)/t15-,16-,18-/m0/s1	PDB MMDB 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423420 (WO2005113580-Ex-16 | cmdc.202100576, 24b) Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O5/c1-24(2,3)12-19(28-22(32)18-10-14-6-4-5-7-16(14)26-18)23(33)27-17(20(30)13-29)11-15-8-9-25-21(15)31/h4-7,10,15,17,19,26,29H,8-9,11-13H2,1-3H3,(H,25,31)(H,27,33)(H,28,32)/t15-,17-,19-/m0/s1	PDB MMDB 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423414 (WO2005113580-Ex-08 | cmdc.202100576, 24c) Show SMILES CCCC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-3-4-6-17(23(32)28-18(20(30)13-29)11-14-9-10-25-22(14)31)27-24(33)19-12-15-16(26-19)7-5-8-21(15)34-2/h5,7-8,12,14,17-18,26,29H,3-4,6,9-11,13H2,1-2H3,(H,25,31)(H,27,33)(H,28,32)/t14-,17-,18-/m0/s1	PDB MMDB 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496939 (cmdc.202100576, 18b) Show SMILES O=C[C@H](CC1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H26N4O4/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/h1-9,14-15,18-19,21,28H,10-13H2,(H,26,31)(H,27,32)(H,29,33)/t18?,19-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423464 (WO2006061714, P38.7 | WO2006061714-ID-09 | cmdc.20...) Show SMILES CC(C)C[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C21H27N5O4/c1-12(2)9-17(20(29)23-14(11-27)10-13-7-8-22-19(13)28)26-21(30)18-24-15-5-3-4-6-16(15)25-18/h3-6,11-14,17H,7-10H2,1-2H3,(H,22,28)(H,23,29)(H,24,25)(H,26,30)/t13-,14-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496939 (cmdc.202100576, 18b) Show SMILES O=C[C@H](CC1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C25H26N4O4/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/h1-9,14-15,18-19,21,28H,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	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496940 (cmdc.202100576, 18c) Show SMILES CC(C)[C@H](NC(=O)c1cncc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=C)N[C@@H](CC1CCNC1=O)C=O Show InChI InChI=1S/C28H34FN5O4/c1-17(2)25(34-27(37)21-12-22(29)15-30-14-21)28(38)33-24(11-19-7-5-4-6-8-19)18(3)32-23(16-35)13-20-9-10-31-26(20)36/h4-8,12,14-17,20,23-25,32H,3,9-11,13H2,1-2H3,(H,31,36)(H,33,38)(H,34,37)/t20?,23-,24-,25-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423411 (US11753373, Compound A-1-h | WO2005113580-Ex-05 | ...) Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C23H30N4O5/c1-13(2)9-18(27-23(32)19-10-14-5-3-4-6-16(14)25-19)22(31)26-17(20(29)12-28)11-15-7-8-24-21(15)30/h3-6,10,13,15,17-18,25,28H,7-9,11-12H2,1-2H3,(H,24,30)(H,26,31)(H,27,32)/t15-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496927 (GC373 | cmdc.202100576, 14b) Show SMILES CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC1CCNC1=O)C=O Show InChI InChI=1S/C21H29N3O5/c1-14(2)10-18(24-21(28)29-13-15-6-4-3-5-7-15)20(27)23-17(12-25)11-16-8-9-22-19(16)26/h3-7,12,14,16-18H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)/t16?,17-,18-/m1/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	42	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496941 (cmdc.202100576, 18d) Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C=O Show InChI InChI=1S/C30H35N5O5/c1-18(2)26(35-29(39)25-16-20-10-6-7-11-23(20)33-25)30(40)34-24(14-19-8-4-3-5-9-19)28(38)32-22(17-36)15-21-12-13-31-27(21)37/h3-11,16-18,21-22,24,26,33H,12-15H2,1-2H3,(H,31,37)(H,32,38)(H,34,40)(H,35,39)/t21?,22-,24-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423469 (WO2006061714, P39.4 | WO2006061714-ID-14 | cmdc.20...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O Show InChI InChI=1S/C23H32N4O5/c1-14(2)11-18(22(30)24-15(13-28)9-10-21(29)27(3)4)26-23(31)19-12-16-17(25-19)7-6-8-20(16)32-5/h6-8,12-15,18,25H,9-11H2,1-5H3,(H,24,30)(H,26,31)/t15-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423410 (WO2005113580-Ex-03 | cmdc.202100576, 6d) Show SMILES COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1 Show InChI InChI=1S/C25H34N4O6/c1-14(2)10-19(29-25(33)20-12-16-17(27-20)6-5-7-22(16)35-4)24(32)28-18(21(30)13-34-3)11-15-8-9-26-23(15)31/h5-7,12,14-15,18-19,27H,8-11,13H2,1-4H3,(H,26,31)(H,28,32)(H,29,33)/t15-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423466 (WO2006061714, P39.1 | WO2006061714-ID-11 | cmdc.20...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O Show InChI InChI=1S/C26H38N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,14,16-17,19-22H,10-13,15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1	PDB MMDB 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496941 (cmdc.202100576, 18d) Show SMILES CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C=O Show InChI InChI=1S/C30H35N5O5/c1-18(2)26(35-29(39)25-16-20-10-6-7-11-23(20)33-25)30(40)34-24(14-19-8-4-3-5-9-19)28(38)32-22(17-36)15-21-12-13-31-27(21)37/h3-11,16-18,21-22,24,26,33H,12-15H2,1-2H3,(H,31,37)(H,32,38)(H,34,40)(H,35,39)/t21?,22-,24-,26-/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	68	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496942 (cmdc.202100576, 18e) Show SMILES O=C[C@H](CC1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H25N3O6/c28-13-18(11-17-8-9-25-22(17)29)26-24(31)19(10-15-4-2-1-3-5-15)27-23(30)16-6-7-20-21(12-16)33-14-32-20/h1-7,12-13,17-19H,8-11,14H2,(H,25,29)(H,26,31)(H,27,30)/t17?,18-,19-/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	78	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423431 (WO2005113580-Ex-29 | cmdc.202100576, 6d) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C25H34N4O6/c1-14(2)10-20(24(33)28-18(21(31)13-30)11-15-8-9-26-23(15)32)29(3)25(34)19-12-16-17(27-19)6-5-7-22(16)35-4/h5-7,12,14-15,18,20,27,30H,8-11,13H2,1-4H3,(H,26,32)(H,28,33)/t15-,18-,20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496942 (cmdc.202100576, 18e) Show SMILES O=C[C@H](CC1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C24H25N3O6/c28-13-18(11-17-8-9-25-22(17)29)26-24(31)19(10-15-4-2-1-3-5-15)27-23(30)16-6-7-20-21(12-16)33-14-32-20/h1-7,12-13,17-19H,8-11,14H2,(H,25,29)(H,26,31)(H,27,30)/t17?,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423426 (WO2005113580-Ex-23 | cmdc.202100576, 6e) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C27H30N4O6/c1-37-24-9-5-8-19-18(24)14-22(29-19)27(36)31-21(12-16-6-3-2-4-7-16)26(35)30-20(23(33)15-32)13-17-10-11-28-25(17)34/h2-9,14,17,20-21,29,32H,10-13,15H2,1H3,(H,28,34)(H,30,35)(H,31,36)/t17-,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423426 (WO2005113580-Ex-23 | cmdc.202100576, 6e) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C27H30N4O6/c1-37-24-9-5-8-19-18(24)14-22(29-19)27(36)31-21(12-16-6-3-2-4-7-16)26(35)30-20(23(33)15-32)13-17-10-11-28-25(17)34/h2-9,14,17,20-21,29,32H,10-13,15H2,1H3,(H,28,34)(H,30,35)(H,31,36)/t17-,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496943 (cmdc.202100576, 18f) Show SMILES Fc1ccc2[nH]c(cc2c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C=O Show InChI InChI=1S/C25H25FN4O4/c26-18-6-7-20-17(11-18)13-22(29-20)25(34)30-21(10-15-4-2-1-3-5-15)24(33)28-19(14-31)12-16-8-9-27-23(16)32/h1-7,11,13-14,16,19,21,29H,8-10,12H2,(H,27,32)(H,28,33)(H,30,34)/t16?,19-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM423435 (WO2005113580-Ex-37 | cmdc.202100576, 24e) 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)COC(=O)C1CC1 Show InChI InChI=1S/C28H36N4O7/c1-15(2)11-21(32-27(36)22-13-18-19(30-22)5-4-6-24(18)38-3)26(35)31-20(12-17-9-10-29-25(17)34)23(33)14-39-28(37)16-7-8-16/h4-6,13,15-17,20-21,30H,7-12,14H2,1-3H3,(H,29,34)(H,31,35)(H,32,36)/t17-,20-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	162	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM496930 (cmdc.202100576, 14e) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@H](CC1CCNC1=O)C=O Show InChI InChI=1S/C34H40N4O6/c1-22(2)17-29(32(41)36-27(20-39)18-26-15-16-35-31(26)40)37-33(42)30(38-34(43)44-21-23-9-4-3-5-10-23)19-25-13-8-12-24-11-6-7-14-28(24)25/h3-14,20,22,26-27,29-30H,15-19,21H2,1-2H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t26?,27-,29-,30+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Human SARS coronavirus (SARS-CoV) (Severe acute re...)	BDBM11292 (1,5-dichloro-2-{[2,6-dinitro-4-(trifluoromethyl)be...) Show SMILES Cc1cc(c(Cl)cc1Cl)S(=O)(=O)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O Show InChI InChI=1S/C14H7Cl2F3N2O6S/c1-6-2-12(9(16)5-8(6)15)28(26,27)13-10(20(22)23)3-7(14(17,18)19)4-11(13)21(24)25/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM496949 (GC868 | cmdc.202100576, 20b | cmdc.202100576, 20e) Show SMILES CC(C)C[C@H](NC(=O)OC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(O)(=O)=O Show InChI InChI=1S/C24H42N4O10S/c1-14(2)12-17(20(30)26-18(21(31)39(34,35)36)13-15-6-9-25-19(15)29)27-22(32)37-16-7-10-28(11-8-16)23(33)38-24(3,4)5/h14-18,21,31H,6-13H2,1-5H3,(H,25,29)(H,26,30)(H,27,32)(H,34,35,36)/t15-,17-,18-,21?/m0/s1	PDB UniProtKB/SwissProt 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
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM496928 (GC376 | cmdc.202100576, 14c) 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?/m1/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	330	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM496950 (GC867 | cmdc.202100576, 20c) Show SMILES CC(C)C[C@H](NC(=O)OC1CCN(CC1)S(C)(=O)=O)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(O)(=O)=O Show InChI InChI=1S/C20H36N4O10S2/c1-12(2)10-15(23-20(28)34-14-5-8-24(9-6-14)35(3,29)30)18(26)22-16(19(27)36(31,32)33)11-13-4-7-21-17(13)25/h12-16,19,27H,4-11H2,1-3H3,(H,21,25)(H,22,26)(H,23,28)(H,31,32,33)/t13-,15-,16-,19?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM496951 (GC861 | cmdc.202100576, 20d) Show SMILES CC(C)C[C@H](NC(=O)OC1(Cc2ccccc2)CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(O)(=O)=O Show InChI InChI=1S/C31H48N4O10S/c1-20(2)17-23(26(37)33-24(27(38)46(41,42)43)18-22-11-14-32-25(22)36)34-28(39)44-31(19-21-9-7-6-8-10-21)12-15-35(16-13-31)29(40)45-30(3,4)5/h6-10,20,22-24,27,38H,11-19H2,1-5H3,(H,32,36)(H,33,37)(H,34,39)(H,41,42,43)/t22-,23-,24-,27?/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Experimental Drug Development Centre					Assay Description Please point to the patents.				ChemMedChem (2021) Article DOI: 10.1002/cmdc.202100576 BindingDB Entry DOI: 10.7270/Q27M0C3W
					More data for this Ligand-Target Pair

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