Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Replicase polyprotein 1ab (HCoV-NL63) | BDBM448319 (GC-376 | GC376) | PDB UniProtKB/SwissProt 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 |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) Article DOI: 10.1021/acsptsci.1c00099 BindingDB Entry DOI: 10.7270/Q20V8GWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM484194 (UAWJ9-36-1) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) Article DOI: 10.1021/acsptsci.1c00099 BindingDB Entry DOI: 10.7270/Q20V8GWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM484195 (UAWJ9-36-3) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Arizona | Assay Description Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre... | ACS Pharmacol Transl Sci 4: 1408-1421 (2021) Article DOI: 10.1021/acsptsci.1c00099 BindingDB Entry DOI: 10.7270/Q20V8GWQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420980 (US9975885, Compound 37) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420978 (US9975885, Compound 33) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420974 (US9975885, Compound 30) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420996 (US9975885, Compound 77) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PDB UniChem | US Patent | n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420993 (US9975885, Compound 47) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PDB UniChem | US Patent | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420973 (US9975885, Compound 29) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420991 (US9975885, Compound 44) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420981 (US9975885, Compound 64) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 8.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420975 (US9975885, Compound 31) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420990 (US9975885, Compound 43) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420977 (US9975885, Compound 32) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420979 (US9975885, Compound 34) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 1.56E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420992 (US9975885, Compound 46) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 1.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420983 (US9975885, Compound 3P | med.21724, Compound 125) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 2.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (HCoV-NL63) | BDBM420994 (US9975885, Compound 48) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | UniChem | US Patent | n/a | n/a | 2.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
PURDUE RESEARCH FOUNDATION US Patent | Assay Description The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following... | US Patent US9975885 (2018) BindingDB Entry DOI: 10.7270/Q2TQ63XX | |||||||||||
More data for this Ligand-Target Pair |