Compile Data Set for Download or QSAR

Found 463 hits Enz. Inhib. hit(s) with all data for entry = 10901   

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 (HCoV-229E)	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 KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					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 UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509781 (US11124497, Compound 103 | US11312704, Compound 10...) Show SMILES CC(C)C[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509781 (US11124497, Compound 103 | US11312704, Compound 10...) Show SMILES CC(C)C[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509783 (US11124497, Compound 129 | US11312704, Compound 12...) Show SMILES CC(C)C[C@H](NC(=O)c1nc2ccncc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509784 (US11124497, Compound 131 | US11312704, Compound 13...) Show SMILES CC(C)C[C@H](NC(=O)c1nc2ncccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509784 (US11124497, Compound 131 | US11312704, Compound 13...) Show SMILES CC(C)C[C@H](NC(=O)c1nc2ncccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509782 (US11124497, Compound 127 | US11124497, Compound 13...) Show SMILES CC(C)C[C@H](NC(=O)c1nc2cccc(Cl)c2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509782 (US11124497, Compound 127 | US11124497, Compound 13...) Show SMILES CC(C)C[C@H](NC(=O)c1nc2cccc(Cl)c2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509786 (US11124497, Compound 134 | US11472793, Compound 13...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)C#N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509786 (US11124497, Compound 134 | US11472793, Compound 13...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(O)C#N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM576978 (US11472793, Compound 134 (Isomer 1)) 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)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM576978 (US11472793, Compound 134 (Isomer 1)) 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)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM576979 (US11472793, Compound 134 (Isomer 2) | US11472793, ...) 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)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM576979 (US11472793, Compound 134 (Isomer 2) | US11472793, ...) 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)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509789 (US11124497, Compound 135 | US11312704, Compound 13...) 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)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509789 (US11124497, Compound 135 | US11312704, Compound 13...) 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)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM576979 (US11472793, Compound 134 (Isomer 2) | US11472793, ...) 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)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM576979 (US11472793, Compound 134 (Isomer 2) | US11472793, ...) 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)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509792 (US11124497, Compound 136 | US11312704, Compound 13...) 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=C\S(C)(=O)=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509792 (US11124497, Compound 136 | US11312704, Compound 13...) 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=C\S(C)(=O)=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509794 (US11124497, Compound 145 | US11312704, Compound 14...) Show SMILES COc1cccc2nc([nH]c12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509794 (US11124497, Compound 145 | US11312704, Compound 14...) Show SMILES COc1cccc2nc([nH]c12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509795 (US11124497, Compound 147 | US11312704, Compound 14...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H]([C@@H]1Cc2ccccc2O1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509796 (US11124497, Compound 149 | US11312704, Compound 14...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](C1Cc2ccccc2C1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509797 (US11124497, Compound 153 | US11472793, Compound 15...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509800 (US11124497, Compound 171 | US11312704, Compound 17...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509800 (US11124497, Compound 171 | US11312704, Compound 17...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)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	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509801 (US11124497, Compound 183 | US11312704, Compound 18...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1CCC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509802 (US11124497, Compound 185 | US11312704, Compound 18...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509802 (US11124497, Compound 185 | US11312704, Compound 18...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509803 (US11124497, Compound 197 | US11312704, Compound 19...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1C[C@H]2C([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509803 (US11124497, Compound 197 | US11312704, Compound 19...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1C[C@H]2C([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509805 (US11124497, Compound 205 | US11312704, Compound 20...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509805 (US11124497, Compound 205 | US11312704, Compound 20...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509820 (US11124497, Compound 267A | US11312704, Compound 2...) Show SMILES O=C(N[C@@H](C[C@@H]1CCNC1=O)C#N)[C@@H](CC1CC1)N1CCc2cc[nH]c2C1=O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509820 (US11124497, Compound 267A | US11312704, Compound 2...) Show SMILES O=C(N[C@@H](C[C@@H]1CCNC1=O)C#N)[C@@H](CC1CC1)N1CCc2cc[nH]c2C1=O |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509831 (US11124497, Compound 305 | US11312704, Compound 30...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1CC2CCCC2[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509831 (US11124497, Compound 305 | US11312704, Compound 30...) Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1CC2CCCC2[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM577023 (US11472793, Compound 323 (Isomer 1)) 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(NC(C)(C)C)C#N |r,w:30.33| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM577023 (US11472793, Compound 323 (Isomer 1)) 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(NC(C)(C)C)C#N |r,w:30.33| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM577024 (US11472793, Compound 323 (Isomer 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(NC(C)(C)C)C#N |r,w:30.33| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM577024 (US11472793, Compound 323 (Isomer 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(NC(C)(C)C)C#N |r,w:30.33| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM550863 (US11312704, Compound 327 | US11472793, Compound 32...) 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(Nc1ccccc1)C#N |r,w:30.33| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM550863 (US11312704, Compound 327 | US11472793, Compound 32...) 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(Nc1ccccc1)C#N |r,w:30.33| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM550864 (US11312704, Compound 329 | US11472793, Compound 32...) 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[C@@H](C)c1ccccc1)C#N |r,w:30.33| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM550864 (US11312704, Compound 329 | US11472793, Compound 32...) 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[C@@H](C)c1ccccc1)C#N |r,w:30.33| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509837 (US11124497, Compound 331 (Isomer 1) | US11312704, ...) 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@H](C#N)N1CCCC1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509837 (US11124497, Compound 331 (Isomer 1) | US11312704, ...) 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@H](C#N)N1CCCC1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509838 (US11124497, Compound 331 (Isomer 2) | US11312704, ...) 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@@H](C#N)N1CCCC1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2B56P00
					More data for this Ligand-Target Pair

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