Compile Data Set for Download or QSAR
Found 121 with Last Name = 'boras' and Initial = 'b'
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer Inc.

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)copy SMILEScopy InChI
Affinity DataKi:  0.0330nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
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In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ352QPubMed
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer Inc.

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)copy SMILEScopy InChI
Affinity DataKi:  0.0340nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
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In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ352QPubMed
LigandPNGBDBM370133(US10233188, Example 22 | US10800783, Example 22 | ...)copy SMILEScopy InChI
Affinity DataKi:  0.0470nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM467013((-)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)copy SMILEScopy InChI
Affinity DataKi:  0.0640nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370147(US10233188, Example 36 | US10800783, Example 36 | ...)copy SMILEScopy InChI
Affinity DataKi:  0.0900nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM50609170(CHEMBL5266837)copy SMILES
Affinity DataKi:  0.100nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM467013((-)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)copy SMILEScopy InChI
Affinity DataKi:  0.110nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370121(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)copy SMILEScopy InChI
Affinity DataKi:  0.110nMMore data for this Ligand-Target Pair
In DepthDetails
TargetReplicase polyprotein 1ab(Feline coronavirus (strain FIPV WSU-79/1146) (FCoV...)
Pfizer Inc.

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)copy SMILEScopy InChI
Affinity DataKi:  0.120nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
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PDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ352QPubMed
LigandPNGBDBM370205(US10233188, Example 92 | US10800783, Example 92 | ...)copy SMILEScopy InChI
Affinity DataKi:  0.120nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370121(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)copy SMILEScopy InChI
Affinity DataKi:  0.130nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM467013((-)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)copy SMILEScopy InChI
Affinity DataKi:  0.190nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370256(BDBM467151 | US10233188, Example 143)copy SMILES
Affinity DataKi:  0.190nMMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails
LigandPNGBDBM370257(BDBM467152 | US10233188, Example 144)copy SMILES
Affinity DataKi:  0.196nMMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails
LigandPNGBDBM6309(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
In DepthDetails
LigandPNGBDBM370113(8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(m...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM50609166(CHEMBL5280928)copy SMILES
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370120(6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM50609166(CHEMBL5280928)copy SMILES
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM50609171(CHEMBL5288078)copy SMILES
Affinity DataKi:  0.210nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370205(US10233188, Example 92 | US10800783, Example 92 | ...)copy SMILEScopy InChI
Affinity DataKi:  0.240nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)copy SMILEScopy InChI
Affinity DataKi:  0.270nMAssay Description:The respective human coronavirus Mpro in assay buffer (20 mM Tris-HCl, pH 7.3, 100 mM NaCl, 1 mM EDTA, 5 mM TCEP) and 0.1% BSA was added to assay-rea...More data for this Ligand-Target Pair
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TargetReplicase polyprotein 1ab(2019-nCoV)
Pfizer

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)copy SMILEScopy InChI
Affinity DataKi:  0.270nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
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PDB
LigandPNGBDBM370140(US10233188, Example 29 | US10800783, Example 29 | ...)copy SMILEScopy InChI
Affinity DataKi:  0.300nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetReplicase polyprotein 1ab(PEDV)
Pfizer Inc.

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)copy SMILEScopy InChI
Affinity DataKi:  0.300nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseMCE
PDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ352QPubMed
LigandPNGBDBM370248((8-cyclopentyl-2-{[1-(methylsulfonyl)piperidin-4-y...)copy SMILEScopy InChI
Affinity DataKi:  0.300nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370133(US10233188, Example 22 | US10800783, Example 22 | ...)copy SMILEScopy InChI
Affinity DataKi:  0.330nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370140(US10233188, Example 29 | US10800783, Example 29 | ...)copy SMILEScopy InChI
Affinity DataKi:  0.360nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370130(US10233188, Example 19 | US10800783, Example 19 | ...)copy SMILEScopy InChI
Affinity DataKi:  0.360nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370120(6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...)copy SMILEScopy InChI
Affinity DataKi:  0.370nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370120(6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...)copy SMILEScopy InChI
Affinity DataKi:  0.450nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370258(BDBM467153 | US10233188, Example 145)copy SMILES
Affinity DataKi:  0.480nMMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails
LigandPNGBDBM370248((8-cyclopentyl-2-{[1-(methylsulfonyl)piperidin-4-y...)copy SMILEScopy InChI
Affinity DataKi:  0.480nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetReplicase polyprotein 1ab(HCoV-OC43)
Pfizer Inc.

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)copy SMILEScopy InChI
Affinity DataKi:  0.510nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseMCE
PDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ352QPubMed
LigandPNGBDBM370277(BDBM467172 | US10233188, Example 164)copy SMILES
Affinity DataKi:  0.520nMMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails
LigandPNGBDBM370130(US10233188, Example 19 | US10800783, Example 19 | ...)copy SMILEScopy InChI
Affinity DataKi:  0.560nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370133(US10233188, Example 22 | US10800783, Example 22 | ...)copy SMILEScopy InChI
Affinity DataKi:  0.610nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370112(8-cyclopentyl-2-{[1-(methylsulfonyl)piperidin-4-yl...)copy SMILEScopy InChI
Affinity DataKi:  0.670nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370112(8-cyclopentyl-2-{[1-(methylsulfonyl)piperidin-4-yl...)copy SMILEScopy InChI
Affinity DataKi:  0.710nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
TargetReplicase polyprotein 1ab(BtCoV)
Pfizer Inc.

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)copy SMILEScopy InChI
Affinity DataKi:  0.740nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseMCE
PDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ352QPubMed
TargetReplicase polyprotein 1ab(HCoV-NL63)
Pfizer Inc.

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)copy SMILEScopy InChI
Affinity DataKi:  0.770nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseMCE
PDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ352QPubMed
LigandPNGBDBM370147(US10233188, Example 36 | US10800783, Example 36 | ...)copy SMILEScopy InChI
Affinity DataKi:  0.800nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM6309(6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-y...)copy SMILEScopy InChI
Affinity DataKi:  0.800nMMore data for this Ligand-Target Pair
In DepthDetails
TargetReplicase polyprotein 1ab(HCoV-HKU1)
Pfizer Inc.

LigandPNGBDBM420298(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)copy SMILEScopy InChI
Affinity DataKi:  0.850nMAssay Description:PF-00835231 was evaluated against 3CLpro from a variety of other coronaviruses representing alpha, beta and gamma groups of Coronaviridae, using bioc...More data for this Ligand-Target Pair
Ligand InfoPurchaseMCE
PDB
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ352QPubMed
LigandPNGBDBM50609169(CHEMBL5275378)copy SMILES
Affinity DataKi:  0.860nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM50609168(CHEMBL5277190)copy SMILES
Affinity DataKi:  0.880nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370112(8-cyclopentyl-2-{[1-(methylsulfonyl)piperidin-4-yl...)copy SMILEScopy InChI
Affinity DataKi:  0.880nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370248((8-cyclopentyl-2-{[1-(methylsulfonyl)piperidin-4-y...)copy SMILEScopy InChI
Affinity DataKi:  0.900nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
LigandPNGBDBM370258(BDBM467153 | US10233188, Example 145)copy SMILES
Affinity DataKi:  0.920nMMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails
LigandPNGBDBM370113(8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-{[1-(m...)copy SMILEScopy InChI
Affinity DataKi:  1.10nMMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails
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