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Compile Data Set for Download or QSAR

Found 218 hits with Last Name = 'rho' and Initial = 'mc'   
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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50481948
PNG
(Iguesterin | acs.jmedchem.1c00409_ST.224)
Show SMILES [H][C@@]12CC(C)=CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C |r,c:4,24,t:14,16,19|
Show InChI InChI=1S/C28H36O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-9,16,23,30H,10-15H2,1-6H3/t23-,25-,26+,27-,28+/m1/s1
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800n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50481947
PNG
(CHEBI:8416 | GNF-Pf-476 | PRISTIMERIN | Pristimeri...)
Show SMILES [H][C@@]12C[C@@](C)(CC[C@]1(C)CC[C@]1(C)C3=CC=C4C(C)=C(O)C(=O)C=C4[C@]3(C)CC[C@@]21C)C(=O)OC |r,c:24,t:14,16,19|
Show InChI InChI=1S/C30H40O4/c1-18-19-8-9-22-28(4,20(19)16-21(31)24(18)32)13-15-30(6)23-17-27(3,25(33)34-7)11-10-26(23,2)12-14-29(22,30)5/h8-9,16,23,32H,10-15,17H2,1-7H3/t23-,26-,27-,28+,29-,30+/m1/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50071055
PNG
((6bS,8aS,11R,12aR,12bS,14aR)-3-Hydroxy-4,6b,8a,11,...)
Show SMILES C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)C4=CC=c5c(cc(O)c(O)c5=C)[C@]4(C)CC[C@@]23C)CC1=O |r,c:12,t:10|
Show InChI InChI=1S/C28H36O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h7-8,14,16,23,29,31H,2,9-13,15H2,1,3-6H3/t16-,23-,25+,26+,27-,28+/m1/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50071058
PNG
((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O |r,c:15,17|
Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of 3C-like protease of SARS coronavirus assessed as concentration of FRET peptide for 60 mins by dixon plot


Bioorg Med Chem Lett 20: 1873-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.152
BindingDB Entry DOI: 10.7270/Q28P63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50129952
PNG
(2-(3-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-c...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
Show InChI InChI=1S/C30H18O10/c31-15-4-1-13(2-5-15)24-12-23(38)29-21(36)10-20(35)27(30(29)40-24)17-7-14(3-6-18(17)33)25-11-22(37)28-19(34)8-16(32)9-26(28)39-25/h1-12,31-33,35-37H
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1.38E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis


Bioorg Med Chem 18: 7940-7 (2010)


Article DOI: 10.1016/j.bmc.2010.09.035
BindingDB Entry DOI: 10.7270/Q2MG7SBP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50352810
PNG
(CHEMBL1711961)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1CC(O)C(C)=C
Show InChI InChI=1S/C21H22O5/c1-13(2)19(24)12-17-20(26-3)11-9-16(21(17)25)18(23)10-6-14-4-7-15(22)8-5-14/h4-11,19,22,24-25H,1,12H2,2-3H3/b10-6+
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1.40E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50352812
PNG
(CHEMBL1823414)
Show SMILES COc1ccc(C(=O)\C=C\c2ccc(O)cc2)c(O)c1C\C=C(/C)CCC(O)C(C)=C
Show InChI InChI=1S/C26H30O5/c1-17(2)23(28)14-6-18(3)5-12-22-25(31-4)16-13-21(26(22)30)24(29)15-9-19-7-10-20(27)11-8-19/h5,7-11,13,15-16,23,27-28,30H,1,6,12,14H2,2-4H3/b15-9+,18-5+
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2.00E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM76798
PNG
((E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethy...)
Show SMILES CC(=C)C(O)CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O
Show InChI InChI=1S/C25H28O5/c1-16(2)22(27)13-5-17(3)4-11-20-24(29)15-12-21(25(20)30)23(28)14-8-18-6-9-19(26)10-7-18/h4,6-10,12,14-15,22,26-27,29-30H,1,5,11,13H2,2-3H3/b14-8+,17-4+
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2.07E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50323199
PNG
(5,7-dihydroxy-8-(5-(5-hydroxy-7-methoxy-4-oxo-4H-c...)
Show SMILES COc1cc2oc(cc(O)c2c(=O)c1)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |(-8.64,-2.46,;-8.63,-4,;-7.29,-4.77,;-5.96,-3.99,;-4.63,-4.75,;-3.3,-3.96,;-1.95,-4.73,;-1.94,-6.28,;-3.28,-7.06,;-3.27,-8.6,;-4.61,-6.3,;-5.94,-7.06,;-5.93,-8.6,;-7.27,-6.31,;-.63,-3.95,;-.64,-2.41,;.68,-1.63,;2.03,-2.39,;3.35,-1.62,;3.34,-.08,;2.04,-3.94,;.71,-4.71,;3.37,-4.69,;3.38,-6.24,;2.05,-7.01,;4.72,-7,;6.05,-6.22,;7.39,-6.98,;6.04,-4.68,;4.7,-3.92,;4.68,-2.38,;6.02,-1.6,;7.36,-2.36,;7.36,-3.9,;8.7,-4.67,;6.02,-.06,;7.35,.72,;7.34,2.26,;6,3.02,;5.99,4.56,;4.67,2.23,;4.68,.7,)|
Show InChI InChI=1S/C32H22O10/c1-39-18-10-20(34)30-23(37)13-27(41-28(30)11-18)16-5-8-25(40-2)19(9-16)29-21(35)12-22(36)31-24(38)14-26(42-32(29)31)15-3-6-17(33)7-4-15/h3-14,33,35-37H,1-2H3
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3.02E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis


Bioorg Med Chem 18: 7940-7 (2010)


Article DOI: 10.1016/j.bmc.2010.09.035
BindingDB Entry DOI: 10.7270/Q2MG7SBP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50352808
PNG
(CHEMBL1823413)
Show SMILES COC(CC\C(C)=C\Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2)c1O)OC
Show InChI InChI=1S/C24H28O6/c1-16(5-15-23(29-2)30-3)4-11-19-22(27)14-12-20(24(19)28)21(26)13-8-17-6-9-18(25)10-7-17/h4,6-10,12-14,23,25,27-28H,5,11,15H2,1-3H3/b13-8+,16-4+
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3.35E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50323206
PNG
(CHEMBL208908 | sciadopitisin | sciadopitysin)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(O)c4c(cc(OC)cc4=O)o3)c2o1 |(10.61,-33.01,;9.27,-32.25,;7.94,-33.02,;7.94,-34.56,;6.61,-35.34,;5.28,-34.57,;5.27,-33.03,;6.6,-32.26,;3.95,-35.34,;3.95,-36.87,;2.63,-37.63,;2.63,-39.17,;1.31,-36.87,;-.03,-37.66,;-.03,-39.2,;-1.36,-36.89,;-1.36,-35.35,;-2.69,-34.58,;-.02,-34.58,;-.02,-33.04,;-1.36,-32.27,;-1.35,-30.73,;-.03,-29.96,;1.31,-30.73,;1.31,-32.27,;2.65,-33.04,;3.98,-32.27,;-2.68,-29.97,;-2.68,-28.42,;-4.03,-27.64,;-4.03,-26.1,;-5.36,-28.42,;-5.36,-29.97,;-6.7,-30.74,;-8.03,-29.97,;-9.37,-30.74,;-10.7,-29.97,;-8.03,-28.42,;-6.7,-27.64,;-6.7,-26.1,;-4.02,-30.74,;1.3,-35.35,;2.62,-34.57,)|
Show InChI InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,35-37H,1-3H3
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3.56E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis


Bioorg Med Chem 18: 7940-7 (2010)


Article DOI: 10.1016/j.bmc.2010.09.035
BindingDB Entry DOI: 10.7270/Q2MG7SBP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50352809
PNG
(CHEMBL458094)
Show SMILES [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C21H22O4/c1-14(2)4-10-18-20(25-3)13-11-17(21(18)24)19(23)12-7-15-5-8-16(22)9-6-15/h4-9,11-13,22,24H,10H2,1-3H3/b12-7+
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5.02E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50323196
PNG
(4'-methylamentoflavone | CHEMBL378188 | bilobetin)
Show SMILES COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(O)c2c(cc(O)cc2=O)o1 |(3.27,-31.58,;3.27,-33.11,;1.94,-33.89,;.61,-33.11,;-.73,-33.89,;-.73,-35.42,;.61,-36.2,;1.94,-35.42,;3.27,-36.2,;4.6,-35.42,;4.6,-33.89,;5.93,-36.2,;5.93,-37.73,;7.27,-38.51,;4.6,-38.51,;3.27,-37.73,;1.94,-38.51,;1.94,-40.04,;3.27,-40.81,;4.6,-40.04,;5.93,-40.81,;.61,-40.81,;.61,-42.35,;-.73,-43.12,;-2.06,-42.35,;-3.39,-43.12,;-2.06,-40.81,;-.73,-40.04,;-2.06,-36.2,;-2.06,-37.73,;-3.39,-38.51,;-3.39,-40.04,;-4.73,-37.73,;-4.73,-36.2,;-6.06,-35.42,;-7.39,-36.2,;-8.72,-35.42,;-7.39,-37.73,;-6.06,-38.51,;-6.06,-40.04,;-3.39,-35.42,)|
Show InChI InChI=1S/C31H20O10/c1-39-24-7-4-15(26-12-22(37)29-19(34)9-17(33)10-27(29)40-26)8-18(24)28-20(35)11-21(36)30-23(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-33,35-37H,1H3
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8.04E+4n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Non-competitive inhibition of SARS coronavirus 3C-like protease by Dixon plot analysis


Bioorg Med Chem 18: 7940-7 (2010)


Article DOI: 10.1016/j.bmc.2010.09.035
BindingDB Entry DOI: 10.7270/Q2MG7SBP
More data for this
Ligand-Target Pair
Neuraminidase


(Influenza A virus (strain A/Brevig Mission/1/1918 ...)
BDBM50352811
PNG
(CHEMBL1722838)
Show SMILES [#6]-[#8]-c1ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2)c(-[#8])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C26H30O4/c1-18(2)6-5-7-19(3)8-14-23-25(30-4)17-15-22(26(23)29)24(28)16-11-20-9-12-21(27)13-10-20/h6,8-13,15-17,27,29H,5,7,14H2,1-4H3/b16-11+,19-8+
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Article
PubMed
1.23E+5n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of Influenza A virus (A/Brevig Mission/1/1918(H1N1)) recombinant neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetyln...


Bioorg Med Chem Lett 21: 5602-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.130
BindingDB Entry DOI: 10.7270/Q2571CDW
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553970
PNG
(US11325916, Example 1)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553971
PNG
(US11325916, Example 2)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)C(=O)N1C[C@]2(C[C@H]1NC=O)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553972
PNG
(US11325916, Example 3)
Show SMILES COC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553973
PNG
(US11325916, Example 4)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1)C(=O)N1C[C@]2(C[C@H]1NC=O)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553974
PNG
(US11325916, Example 5 | US11325916, Example 6)
Show SMILES CN([C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553974
PNG
(US11325916, Example 5 | US11325916, Example 6)
Show SMILES CN([C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553976
PNG
(US11325916, Example 7)
Show SMILES CN([C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2c(F)cc(F)c(F)c2[nH]1 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553977
PNG
(US11325916, Example 8)
Show SMILES CN([C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)NC1CC1 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553978
PNG
(US11325916, Example 9)
Show SMILES CN([C@@H](CC(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)C(=O)[C@H](Cc1ccc(F)cc1)n1cc(nn1)C1CC1 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553980
PNG
(US11325916, Example 11)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553981
PNG
(US11325916, Example 12)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553982
PNG
(US11325916, Example 13)
Show SMILES COC(=O)N[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)C(C)(C)C |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553983
PNG
(US11325916, Example 14)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CC1CC1)NC(=O)OCc1ccccc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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n/an/a<100n/an/an/an/an/an/a


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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553984
PNG
(US11325916, Example 15)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CC1CC1)NC(=O)C(F)(F)F)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553985
PNG
(US11325916, Example 16)
Show SMILES COC(=O)N[C@@H](CC1CC1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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n/an/a<100n/an/an/an/an/an/a


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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553986
PNG
(US11325916, Example 17)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CC1CC1)NC(=O)c1ccc(F)cc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553987
PNG
(US11325916, Example 18)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cnccn1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553988
PNG
(US11325916, Example 19)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccn(C)n1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553990
PNG
(US11325916, Example 20)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553992
PNG
(US11325916, Example 21)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@@H](NC(=O)C(F)(F)F)C1CCCCC1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553993
PNG
(US11325916, Example 22)
Show SMILES CC(C)C[C@H](N(C)C(=O)C(NC(=O)OCc1ccccc1)c1ccccc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r,w:9.21|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553994
PNG
(US11325916, Example 23)
Show SMILES COC(=O)N[C@@H](C1CCCCC1)C(=O)N(C)[C@@H](CC(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553995
PNG
(US11325916, Example 24)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CC1CCC1)NC(=O)OCc1ccccc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553996
PNG
(US11325916, Example 25)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
PDB
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UniProtKB/SwissProt

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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553997
PNG
(US11325916, Example 26)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CC(C)(C)C)NC(=O)C(F)(F)F)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553998
PNG
(US11325916, Example 27)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CC1CCC1)NC(=O)C(F)(F)F)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM553999
PNG
(US11325916, Example 28)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C |r|
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM554000
PNG
(US11325916, Example 29)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)C(=O)[C@@H](N)C(C)(C)C |r|
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM554001
PNG
(US11325916, Example 30)
Show SMILES CN([C@@H](Cc1ccccc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)C(=O)[C@@H](NCc1cc(F)c(F)cc1F)C(C)(C)C |r|
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM554002
PNG
(US11325916, Example 31)
Show SMILES CC(C)OC(=O)N[C@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21)C(C)(C)C |r|
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TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM554003
PNG
(US11325916, Example 32)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CC(C)(C)C)N(C)C(=O)OCc1ccccc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM554005
PNG
(US11325916, Example 33)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CC(C)(C)C)N(C)C(=O)C(F)(F)F)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM554006
PNG
(US11325916, Example 34)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(F)cc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM554007
PNG
(US11325916, Example 35)
Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CC1CCC1)NC(=O)c1ccc(F)cc1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM554008
PNG
(US11325916, Example 36)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
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n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
Replicase polyprotein 1a


(2019-nCoV)
BDBM554009
PNG
(US11325916, Example 37)
Show SMILES CC(C)(C)C[C@H](NC(=O)[C@H](CC1CC1)NS(=O)(=O)C1CC1)C(=O)N1C[C@]2(C[C@H]1C#N)C(=O)Nc1ccccc21 |r|
PDB
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UniProtKB/SwissProt

B.MOAD
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UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a


TBA

Assay Description
Recombinant SARS-CoV-2 3CL-protease was expressed and purified. TAMIRA-SITSAVLQSGFRKMK-Dabcyl-OH peptide 3CLpro substrate was synthesized. Black, low...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TQ64R3
More data for this
Ligand-Target Pair
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