Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Replicase polyprotein 1ab' and Ligand = 'BDBM509781'   

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)	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/Q23B63CF
					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/Q23B63CF
					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)	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	<2.20E+4	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/Q2GB276R
					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	<2.20E+4	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/Q2GB276R
					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	n/a	n/a	<2.00E+3	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/Q23B63CF
					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	n/a	n/a	<2.00E+3	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 (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	n/a	n/a	<2.20E+4	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/Q2GB276R
					More data for this Ligand-Target Pair