BindingDB PrimarySearch

null

SMILES: COc1cccc2[nH]c(cc12)C(=O)N1C[C@@H](CC1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)c1ccccc1

InChI Key:

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 509841
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Replicase polyprotein 1ab (HCoV-229E)	BDBM509841 (US11124497, Compound 344A \| US11312704, Compound 3...) Show SMILES 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
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509841 (US11124497, Compound 344A \| US11312704, Compound 3...) Show SMILES 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
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509841 (US11124497, Compound 344A \| US11312704, Compound 3...) Show SMILES 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
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509841 (US11124497, Compound 344A \| US11312704, Compound 3...) Show SMILES 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
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509841 (US11124497, Compound 344A \| US11312704, Compound 3...) Show SMILES 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
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509841 (US11124497, Compound 344A \| US11312704, Compound 3...) Show SMILES 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
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1a (Human SARS coronavirus (SARS-CoV))	BDBM509841 (US11124497, Compound 344A \| US11312704, Compound 3...) Show SMILES Show InChI	PDB 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 are assayed using standard methods to assess compound activity and IC50. As an exemplary for assessment of the SARS-COV2 Mpro, the C-His6-t...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD51M3
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509841 (US11124497, Compound 344A \| US11312704, Compound 3...) Show SMILES 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
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM509841 (US11124497, Compound 344A \| US11312704, Compound 3...) Show SMILES 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
TBA					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (HCoV-229E)	BDBM509841 (US11124497, Compound 344A \| US11312704, Compound 3...) Show SMILES 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
TBA					More data for this Ligand-Target Pair