Compile Data Set for Download or QSAR
Found 30 Enz. Inhib. hit(s) with all data for entry = 50016837
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM419120(acs.jmedchem.1c00409_ST.487 | cmdc.202100576, 8d(N...)copy SMILEScopy InChI
Affinity DataKi:  9.00E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM420297(acs.jmedchem.1c00409_ST.30 | med.21724, Compound 6...)copy SMILEScopy InChI
Affinity DataIC50: 40nMMore data for this Ligand-Target Pair
Ligand InfoPurchaseMCE
PDB
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM34233(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)copy SMILEScopy InChI
Affinity DataIC50: 240nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50197301(CHEMBL3922662 | ebselen derivative 1d)copy SMILEScopy InChI
Affinity DataIC50: 240nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50197349(CHEMBL3983492 | ebselen derivative 1e)copy SMILEScopy InChI
Affinity DataIC50: 260nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50197300(CHEMBL3912164 | ebselen derivative 2e)copy SMILEScopy InChI
Affinity DataIC50: 260nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM31524(5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]...)copy SMILEScopy InChI
Affinity DataIC50: 600nMMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM420295(alpha-ketoamide inhibitor 13b | med.21724, Compoun...)copy SMILEScopy InChI
Affinity DataIC50: 670nMMore data for this Ligand-Target Pair
Ligand InfoPurchaseMCE
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM34233(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)copy SMILEScopy InChI
Affinity DataIC50: 670nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM420283(alpha-ketoamide inhibitor 11r | med.21724, Compoun...)copy SMILEScopy InChI
Affinity DataIC50: 710nMMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM420295(alpha-ketoamide inhibitor 13b | med.21724, Compoun...)copy SMILEScopy InChI
Affinity DataIC50: 900nMMore data for this Ligand-Target Pair
Ligand InfoPurchaseMCE
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM34233(2-Phenyl-benzo[d]isoselenazol-3-one | 2-Phenyl-ben...)copy SMILEScopy InChI
Affinity DataIC50: 2.26E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM419133(BDBM429386 | GC376)copy SMILEScopy InChI
Affinity DataIC50: 4.35E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)copy SMILEScopy InChI
Affinity DataIC50: 6.41E+3nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50197297(CHEMBL3928799 | ebselen derivative 2d)copy SMILEScopy InChI
Affinity DataIC50: 3.40E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)copy SMILEScopy InChI
Affinity DataKd:  1.24E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)copy SMILEScopy InChI
Affinity DataKd:  1.15E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50009001(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)copy SMILEScopy InChI
Affinity DataEC50:  1.69E+3nMMore data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50242173((2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenyl-4...)copy SMILEScopy InChI
Affinity DataEC50:  1.03E+4nMMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2445RJDPubMed