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Compile Data Set for Download or QSAR

Found 198 hits with Last Name = 'yong' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535290
PNG
(WO2022021841, 37)
Show SMILES Fc1cccc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1 |r|
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WIPO WO2022021841
7n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535192
PNG
(WO2022021841, 6)
Show SMILES CC1CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@@H]2[C@H](CN1C(=O)COc1ccc(Cl)cc1Cl)C2(C)C)C(=O)CF |r|
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535324
PNG
(WO2022021841, 43)
Show SMILES CC1(C)[C@H]2CN(C([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(Cl)cc1 |r|
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535264
PNG
(WO2022021841, 26)
Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1 |r|
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9n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535807
PNG
(WO2022021841, 46)
Show SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)C1[C@@H]2CCC[C@H]2CN1C(=O)COc1cccc(c1)-c1ccccc1 |r|
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535331
PNG
(WO2022021841, 44)
Show SMILES CC1(C)[C@H]2CN(C([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(Cl)cc1Cl |r|
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535809
PNG
(WO2022021841, 48)
Show SMILES CC1CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@@H]2[C@H](CN1C(=O)COc1ccc(Cl)c(Cl)c1)C2(C)C)C=O |r|
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535244
PNG
(WO2022021841, 19)
Show SMILES Fc1cc(F)cc(CCC(=O)N2C[C@@H]3CCC[C@@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1 |r|
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535190
PNG
(WO2022021841, 5)
Show SMILES CC1CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@H]2CCC[C@H]2CN1C(=O)COc1cccc(c1)-c1ccccc1)C(=O)CF |r|
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535178
PNG
(WO2022021841, 4)
Show SMILES CC1CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc(Cl)cc1Cl)C(=O)CF |r|
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535808
PNG
(WO2022021841, 47)
Show SMILES CC1CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@@H]2CCC[C@H]2CN1C(=O)COc1cccc(c1)-c1ccccc1)C=O |r|
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535245
PNG
(WO2022021841, 20)
Show SMILES COc1ccc(OCC(=O)N2C[C@H]3[C@@H](C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)C3(C)C)cc1OC |r|
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12n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535283
PNG
(WO2022021841, 33)
Show SMILES CC1(C)[C@H]2CN(C([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(F)c(F)c1 |r|
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13n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535224
PNG
(WO2022021841, 14)
Show SMILES CC1(C)[C@H]2CN(C([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(OC(F)(F)F)cc1 |r|
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535277
PNG
(WO2022021841, 30)
Show SMILES CC1(C)[C@H]2CN(C([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(Cl)c(Br)c1 |r|
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535280
PNG
(WO2022021841, 31)
Show SMILES CC1(C)[C@H]2CN(C([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1ccc(Br)cc1Cl |r|
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535206
PNG
(WO2022021841, 7)
Show SMILES CC1CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@@H]2[C@H](CN1C(=O)COc1ccc(Cl)c(Cl)c1)C2(C)C)C(=O)CF |r|
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535263
PNG
(WO2022021841, 25)
Show SMILES Fc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1F |r|
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535225
PNG
(WO2022021841, 15)
Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c(Cl)c1 |r|
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535289
PNG
(WO2022021841, 36)
Show SMILES CC1(C)[C@H]2CN(C([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)CCc1cccc(F)c1 |r|
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535215
PNG
(WO2022021841, 8)
Show SMILES CC1CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@@H]2[C@H](CN1C(=O)COc1cccc(c1)-c1ccc(Cl)cc1)C2(C)C)C(=O)CF |r|
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535293
PNG
(WO2022021841, 40)
Show SMILES CC1CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@@H]2CCC[C@H]2CN1C(=O)COc1ccc(Cl)cc1Cl)C=O |r|
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535176
PNG
(WO2022021841, 3)
Show SMILES FCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)C1[C@H]2CCC[C@H]2CN1C(=O)COc1ccc(Cl)cc1Cl |r|
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18n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535303
PNG
(WO2022021841, 42)
Show SMILES ClCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)C1[C@@H]2CCC[C@H]2CN1C(=O)COc1ccc(Cl)cc1Cl |r|
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535367
PNG
(WO2022021841, 45)
Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1Cl |r|
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535240
PNG
(WO2022021841, 17)
Show SMILES COc1ccc(OCC(=O)N2C[C@@H]3CCC[C@@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1 |r|
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535284
PNG
(WO2022021841, 34)
Show SMILES CC1(C)[C@H]2CN(C([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)COc1cc(F)cc(F)c1 |r|
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535259
PNG
(WO2022021841, 24)
Show SMILES Cc1cc(Cl)ccc1OCC(=O)N1C[C@@H]2CCC[C@H]2C1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
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22n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535811
PNG
(WO2022021841, 49)
Show SMILES CC1CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@@H]2[C@H](CN1C(=O)COc1cccc(c1)-c1ccc(Cl)cc1)C2(C)C)C=O |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535846
PNG
(WO2022021841, 80)
Show SMILES CC1CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@@H]2CCC[C@H]2CN1C(=O)COc1ccc(OC(F)(F)F)cc1)C(=O)CF |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535816
PNG
(WO2022021841, 54)
Show SMILES CC1(C)CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@@H]2CCC[C@H]2CN1C(=O)COc1ccc(Cl)cc1Cl)C=O |r|
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535820
PNG
(WO2022021841, 57)
Show SMILES COc1ccc(CNC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1 |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535827
PNG
(WO2022021841, 63)
Show SMILES CC(C)(CCc1ccc(Cl)c(F)c1)C(=O)N1C[C@@H]2CCC[C@H]2C1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535241
PNG
(WO2022021841, 18)
Show SMILES C[C@H](OCc1ccccc1)C(=O)N1C[C@@H]2CCC[C@@H]2C1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
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28n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535821
PNG
(WO2022021841, 58)
Show SMILES Fc1ccc(CNC(=S)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1 |r|
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30n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535839
PNG
(WO2022021841, 73)
Show SMILES Oc1cccc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1 |r|
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31n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535838
PNG
(WO2022021841, 72)
Show SMILES FC(Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2CCC[C@H]2C1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535817
PNG
(WO2022021841, 55)
Show SMILES CC1(C)[C@H]2CN(C([C@H]12)C(=O)N[C@@H](C[C@H]1C(=O)NCC1(C)C)C=O)C(=O)COc1ccc(Cl)cc1Cl |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535292
PNG
(WO2022021841, 39)
Show SMILES CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2CCC[C@H]2C1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
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33n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535818
PNG
(WO2022021841, 56)
Show SMILES CC1(C)[C@H]2CN(C([C@H]12)C(=O)N[C@@H](C[C@H]1C(=O)NCC1(F)F)C=O)C(=O)COc1ccc(Cl)cc1Cl |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535823
PNG
(WO2022021841, 60)
Show SMILES CC(C)(C)C(NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2CCC[C@H]2C1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535828
PNG
(WO2022021841, 64)
Show SMILES Clc1cc(Cl)cc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1 |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535832
PNG
(WO2022021841, 68)
Show SMILES Clc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1Cl |r|
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35n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535830
PNG
(WO2022021841, 66)
Show SMILES Clc1cccc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1 |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535281
PNG
(WO2022021841, 32)
Show SMILES COc1ccc(OCC(=O)N2C[C@H]3[C@@H](C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)C3(C)C)cc1 |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535822
PNG
(WO2022021841, 59)
Show SMILES Fc1cccc(CNC(=S)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1 |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535257
PNG
(WO2022021841, 23)
Show SMILES COc1cccc(OCC(=O)N2C[C@H]3[C@@H](C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)C3(C)C)c1 |r|
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TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535824
PNG
(WO2022021841, 61)
Show SMILES CC(C)(C)C(NCc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2CCC[C@H]2C1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
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39n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535826
PNG
(WO2022021841, 62)
Show SMILES CC(C)(OCc1ccc(F)cc1F)C(=O)N1C[C@@H]2CCC[C@H]2C1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
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40n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)
BDBM535837
PNG
(WO2022021841, 71)
Show SMILES FC(F)(Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2CCC[C@H]2C1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O |r|
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40n/an/an/an/an/an/an/an/a


TBA

Assay Description
SARS-CoV-2 Mpro (final concentration 750 nM) plus every compound in 25 uL of buffer (20 mM Tris-HCl, pH 7.5, 150mM NaCl,1mM EDTA,2mM DT...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2RN3C2K
More data for this
Ligand-Target Pair
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