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Articleid 10422

Compile data set for download or QSAR
Found 98 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50
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
Show InChI InChI=1S/C24H30FN3O4/c25-18-5-1-3-15(11-18)7-8-21(30)28-13-17-4-2-6-20(17)22(28)24(32)27-19(14-29)12-16-9-10-26-23(16)31/h1,3,5,11,14,16-17,19-20,22H,2,4,6-10,12-13H2,(H,26,31)(H,27,32)/t16-,17-,19-,20+,22?/m0/s1
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WIPO WO2022021841
 7n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C25H30Cl2FN3O5/c1-12-9-29-23(34)14(12)7-17(18(32)8-28)30-24(35)22-21-15(25(21,2)3)10-31(22)20(33)11-36-19-5-4-13(26)6-16(19)27/h4-6,12,14-15,17,21-22H,7-11H2,1-3H3,(H,29,34)(H,30,35)/t12?,14-,15+,17+,21+,22?/m1/s1
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WIPO WO2022021841
 9n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H28ClN3O5/c24-16-4-6-18(7-5-16)32-13-20(29)27-11-15-2-1-3-19(15)21(27)23(31)26-17(12-28)10-14-8-9-25-22(14)30/h4-7,12,14-15,17,19,21H,1-3,8-11,13H2,(H,25,30)(H,26,31)/t14-,15-,17-,19+,21?/m0/s1
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WIPO WO2022021841
 9n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H28ClN3O5/c1-23(2)17-10-27(18(29)12-32-16-5-3-14(24)4-6-16)20(19(17)23)22(31)26-15(11-28)9-13-7-8-25-21(13)30/h3-6,11,13,15,17,19-20H,7-10,12H2,1-2H3,(H,25,30)(H,26,31)/t13-,15-,17-,19-,20?/m0/s1
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WIPO WO2022021841
 9n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C29H33N3O5/c33-17-23(14-21-12-13-30-28(21)35)31-29(36)27-25-11-5-9-22(25)16-32(27)26(34)18-37-24-10-4-8-20(15-24)19-6-2-1-3-7-19/h1-4,6-8,10,15,17,21-23,25,27H,5,9,11-14,16,18H2,(H,30,35)(H,31,36)/t21-,22-,23-,25+,27?/m0/s1
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WIPO WO2022021841
 10n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12,14-15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20?/m0/s1
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WIPO WO2022021841
 10n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H29Cl2N3O5/c1-12-8-27-22(32)15(12)6-13(10-30)28-23(33)21-20-16(24(20,2)3)9-29(21)19(31)11-34-14-4-5-17(25)18(26)7-14/h4-5,7,10,12-13,15-16,20-21H,6,8-9,11H2,1-3H3,(H,27,32)(H,28,33)/t12?,13-,15+,16-,20-,21?/m0/s1
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WIPO WO2022021841
 11n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C31H36FN3O5/c1-19-16-33-30(38)25(19)14-26(27(36)15-32)34-31(39)29-24-12-6-10-22(24)17-35(29)28(37)18-40-23-11-5-9-21(13-23)20-7-3-2-4-8-20/h2-5,7-9,11,13,19,22,24-26,29H,6,10,12,14-18H2,1H3,(H,33,38)(H,34,39)/t19?,22-,24-,25+,26-,29?/m0/s1
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WIPO WO2022021841
 11n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20-,22?/m0/s1
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WIPO WO2022021841
 11n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C30H35N3O5/c1-19-15-31-29(36)26(19)14-23(17-34)32-30(37)28-25-12-6-10-22(25)16-33(28)27(35)18-38-24-11-5-9-21(13-24)20-7-3-2-4-8-20/h2-5,7-9,11,13,17,19,22-23,25-26,28H,6,10,12,14-16,18H2,1H3,(H,31,36)(H,32,37)/t19?,22-,23-,25+,26+,28?/m0/s1
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WIPO WO2022021841
 12n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C25H30Cl2FN3O5/c1-13-10-29-24(34)17(13)8-19(20(32)9-28)30-25(35)23-16-4-2-3-14(16)11-31(23)22(33)12-36-21-6-5-15(26)7-18(21)27/h5-7,13-14,16-17,19,23H,2-4,8-12H2,1H3,(H,29,34)(H,30,35)/t13?,14-,16-,17+,19-,23?/m0/s1
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WIPO WO2022021841
 12n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C25H33N3O7/c1-25(2)17-11-28(20(30)13-35-16-5-6-18(33-3)19(10-16)34-4)22(21(17)25)24(32)27-15(12-29)9-14-7-8-26-23(14)31/h5-6,10,12,14-15,17,21-22H,7-9,11,13H2,1-4H3,(H,26,31)(H,27,32)/t14-,15-,17-,21-,22?/m0/s1
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WIPO WO2022021841
 12n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27F2N3O5/c1-23(2)15-9-28(18(30)11-33-14-3-4-16(24)17(25)8-14)20(19(15)23)22(32)27-13(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12-13,15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,13-,15-,19-,20?/m0/s1
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WIPO WO2022021841
 13n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H28F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,11,13-14,17,19-20H,7-10,12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20?/m0/s1
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WIPO WO2022021841
 14n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27BrClN3O5/c1-23(2)15-9-28(18(30)11-33-14-3-4-17(25)16(24)8-14)20(19(15)23)22(32)27-13(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12-13,15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,13-,15-,19-,20?/m0/s1
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WIPO WO2022021841
 14n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C25H30Cl2FN3O5/c1-12-9-29-23(34)14(12)7-18(19(32)8-28)30-24(35)22-21-15(25(21,2)3)10-31(22)20(33)11-36-13-4-5-16(26)17(27)6-13/h4-6,12,14-15,18,21-22H,7-11H2,1-3H3,(H,29,34)(H,30,35)/t12?,14-,15+,18+,21+,22?/m1/s1
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WIPO WO2022021841
 15n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27BrClN3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12,14-15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20?/m0/s1
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WIPO WO2022021841
 15n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H30FN3O4/c1-24(2)18-12-28(19(30)7-6-14-4-3-5-16(25)10-14)21(20(18)24)23(32)27-17(13-29)11-15-8-9-26-22(15)31/h3-5,10,13,15,17-18,20-21H,6-9,11-12H2,1-2H3,(H,26,31)(H,27,32)/t15-,17-,18-,20-,21?/m0/s1
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WIPO WO2022021841
 16n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-14,16-17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17-,21?/m0/s1
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WIPO WO2022021841
 16n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H29F2N3O4/c25-19-6-4-14(10-20(19)26)5-7-21(31)29-12-16-2-1-3-18(16)22(29)24(33)28-17(13-30)11-15-8-9-27-23(15)32/h4,6,10,13,15-18,22H,1-3,5,7-9,11-12H2,(H,27,32)(H,28,33)/t15-,16-,17-,18+,22?/m0/s1
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WIPO WO2022021841
 16n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C31H35ClFN3O5/c1-17-14-34-29(39)22(17)12-24(25(37)13-33)35-30(40)28-27-23(31(27,2)3)15-36(28)26(38)16-41-21-6-4-5-19(11-21)18-7-9-20(32)10-8-18/h4-11,17,22-24,27-28H,12-16H2,1-3H3,(H,34,39)(H,35,40)/t17?,22-,23+,24+,27+,28?/m1/s1
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WIPO WO2022021841
 17n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H29Cl2N3O5/c1-13-9-27-23(32)18(13)8-16(11-30)28-24(33)22-17-4-2-3-14(17)10-29(22)21(31)12-34-20-6-5-15(25)7-19(20)26/h5-7,11,13-14,16-18,22H,2-4,8-10,12H2,1H3,(H,27,32)(H,28,33)/t13?,14-,16-,17+,18+,22?/m0/s1
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WIPO WO2022021841
 17n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H28Cl2FN3O5/c25-15-4-5-20(17(26)9-15)35-12-21(32)30-11-14-2-1-3-16(14)22(30)24(34)29-18(19(31)10-27)8-13-6-7-28-23(13)33/h4-5,9,13-14,16,18,22H,1-3,6-8,10-12H2,(H,28,33)(H,29,34)/t13-,14-,16-,18-,22?/m0/s1
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WIPO WO2022021841
 18n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H28Cl3N3O5/c25-10-19(31)18(8-13-6-7-28-23(13)33)29-24(34)22-16-3-1-2-14(16)11-30(22)21(32)12-35-20-5-4-15(26)9-17(20)27/h4-5,9,13-14,16,18,22H,1-3,6-8,10-12H2,(H,28,33)(H,29,34)/t13-,14-,16+,18-,22?/m0/s1
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WIPO WO2022021841
 19n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27Cl2N3O5/c24-18-5-4-16(9-19(18)25)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-15(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-15,17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,15-,17+,21?/m0/s1
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WIPO WO2022021841
 19n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27F2N3O5/c1-23(2)17-9-28(18(30)11-33-16-7-13(24)6-14(25)8-16)20(19(17)23)22(32)27-15(10-29)5-12-3-4-26-21(12)31/h6-8,10,12,15,17,19-20H,3-5,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,15-,17-,19-,20?/m0/s1
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WIPO WO2022021841
 20n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H31N3O6/c1-32-18-5-7-19(8-6-18)33-14-21(29)27-12-16-3-2-4-20(16)22(27)24(31)26-17(13-28)11-15-9-10-25-23(15)30/h5-8,13,15-17,20,22H,2-4,9-12,14H2,1H3,(H,25,30)(H,26,31)/t15-,16-,17-,20-,22?/m0/s1
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WIPO WO2022021841
 20n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C30H34ClN3O5/c1-17-13-32-28(37)23(17)12-21(15-35)33-29(38)27-26-24(30(26,2)3)14-34(27)25(36)16-39-22-6-4-5-19(11-22)18-7-9-20(31)10-8-18/h4-11,15,17,21,23-24,26-27H,12-14,16H2,1-3H3,(H,32,37)(H,33,38)/t17?,21-,23+,24-,26-,27?/m0/s1
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WIPO WO2022021841
 22n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H30ClN3O5/c1-14-9-17(25)5-6-20(14)33-13-21(30)28-11-16-3-2-4-19(16)22(28)24(32)27-18(12-29)10-15-7-8-26-23(15)31/h5-6,9,12,15-16,18-19,22H,2-4,7-8,10-11,13H2,1H3,(H,26,31)(H,27,32)/t15-,16-,18-,19+,22?/m0/s1
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WIPO WO2022021841
 22n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C26H31F4N3O6/c1-14-11-31-24(36)19(14)9-20(21(34)10-27)32-25(37)23-18-4-2-3-15(18)12-33(23)22(35)13-38-16-5-7-17(8-6-16)39-26(28,29)30/h5-8,14-15,18-20,23H,2-4,9-13H2,1H3,(H,31,36)(H,32,37)/t14?,15-,18+,19+,20-,23?/m0/s1
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WIPO WO2022021841
 23n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C25H31Cl2N3O5/c1-25(2)13-28-23(33)18(25)9-16(11-31)29-24(34)22-17-5-3-4-14(17)10-30(22)21(32)12-35-20-7-6-15(26)8-19(20)27/h6-8,11,14,16-18,22H,3-5,9-10,12-13H2,1-2H3,(H,28,33)(H,29,34)/t14-,16-,17+,18-,22?/m0/s1
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WIPO WO2022021841
 24n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H32N4O5/c1-33-19-7-5-15(6-8-19)12-26-24(32)28-13-17-3-2-4-20(17)21(28)23(31)27-18(14-29)11-16-9-10-25-22(16)30/h5-8,14,16-18,20-21H,2-4,9-13H2,1H3,(H,25,30)(H,26,32)(H,27,31)/t16-,17-,18-,20+,21?/m0/s1
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WIPO WO2022021841
 26n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C27H35ClFN3O4/c1-27(2,10-8-16-6-7-21(28)22(29)12-16)26(36)32-14-18-4-3-5-20(18)23(32)25(35)31-19(15-33)13-17-9-11-30-24(17)34/h6-7,12,15,17-20,23H,3-5,8-11,13-14H2,1-2H3,(H,30,34)(H,31,35)/t17-,18-,19-,20+,23?/m0/s1
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WIPO WO2022021841
 26n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C25H33N3O5/c1-16(33-15-17-6-3-2-4-7-17)25(32)28-13-19-8-5-9-21(19)22(28)24(31)27-20(14-29)12-18-10-11-26-23(18)30/h2-4,6-7,14,16,18-22H,5,8-13,15H2,1H3,(H,26,30)(H,27,31)/t16-,18-,19-,20-,21-,22?/m0/s1
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WIPO WO2022021841
 28n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H29FN4O3S/c24-17-6-4-14(5-7-17)11-26-23(32)28-12-16-2-1-3-19(16)20(28)22(31)27-18(13-29)10-15-8-9-25-21(15)30/h4-7,13,15-16,18-20H,1-3,8-12H2,(H,25,30)(H,26,32)(H,27,31)/t15-,16-,18-,19+,20?/m0/s1
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WIPO WO2022021841
 30n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C25H31Cl2N3O5/c1-24(2)12-28-22(33)15(24)8-14(10-31)29-23(34)21-20-16(25(20,3)4)9-30(21)19(32)11-35-18-6-5-13(26)7-17(18)27/h5-7,10,14-16,20-21H,8-9,11-12H2,1-4H3,(H,28,33)(H,29,34)/t14-,15-,16-,20+,21?/m0/s1
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WIPO WO2022021841
 31n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H31N3O5/c28-14-18(12-16-9-10-25-23(16)31)26-24(32)22-20-6-2-4-17(20)13-27(22)21(30)8-7-15-3-1-5-19(29)11-15/h1,3,5,11,14,16-18,20,22,29H,2,4,6-10,12-13H2,(H,25,31)(H,26,32)/t16-,17-,18-,20+,22?/m0/s1
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WIPO WO2022021841
 31n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H26Cl2FN3O5/c24-14-4-5-18(17(25)9-14)34-20(26)23(33)29-10-13-2-1-3-16(13)19(29)22(32)28-15(11-30)8-12-6-7-27-21(12)31/h4-5,9,11-13,15-16,19-20H,1-3,6-8,10H2,(H,27,31)(H,28,32)/t12-,13-,15-,16+,19?,20?/m0/s1
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WIPO WO2022021841
 31n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H29Cl2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20+,22?/m0/s1
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WIPO WO2022021841
 33n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H25Cl2F2N3O5/c1-22(2)14-7-30(17(32)9-35-16-4-3-11(24)5-15(16)25)19(18(14)22)21(34)29-12(8-31)6-13-20(33)28-10-23(13,26)27/h3-5,8,12-14,18-19H,6-7,9-10H2,1-2H3,(H,28,33)(H,29,34)/t12-,13-,14-,18+,19?/m0/s1
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WIPO WO2022021841
 33n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C29H38Cl2N4O5/c1-29(2,3)25(34-23(37)12-16-7-8-19(30)13-22(16)31)28(40)35-14-18-5-4-6-21(18)24(35)27(39)33-20(15-36)11-17-9-10-32-26(17)38/h7-8,13,15,17-18,20-21,24-25H,4-6,9-12,14H2,1-3H3,(H,32,38)(H,33,39)(H,34,37)/t17-,18-,20-,21+,24?,25?/m0/s1
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WIPO WO2022021841
 33n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C25H31Cl2N3O5/c1-25(2,35-20-7-6-16(26)11-19(20)27)24(34)30-12-15-4-3-5-18(15)21(30)23(33)29-17(13-31)10-14-8-9-28-22(14)32/h6-7,11,13-15,17-18,21H,3-5,8-10,12H2,1-2H3,(H,28,32)(H,29,33)/t14-,15-,17-,18+,21?/m0/s1
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WIPO WO2022021841
 33n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H29Cl2N3O4/c25-19-6-4-14(10-20(19)26)5-7-21(31)29-12-16-2-1-3-18(16)22(29)24(33)28-17(13-30)11-15-8-9-27-23(15)32/h4,6,10,13,15-18,22H,1-3,5,7-9,11-12H2,(H,27,32)(H,28,33)/t15-,16-,17-,18+,22?/m0/s1
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WIPO WO2022021841
 35n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H30ClN3O4/c25-18-5-1-3-15(11-18)7-8-21(30)28-13-17-4-2-6-20(17)22(28)24(32)27-19(14-29)12-16-9-10-26-23(16)31/h1,3,5,11,14,16-17,19-20,22H,2,4,6-10,12-13H2,(H,26,31)(H,27,32)/t16-,17-,19-,20+,22?/m0/s1
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WIPO WO2022021841
 36n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H31N3O6/c1-24(2)18-11-27(19(29)13-33-17-6-4-16(32-3)5-7-17)21(20(18)24)23(31)26-15(12-28)10-14-8-9-25-22(14)30/h4-7,12,14-15,18,20-21H,8-11,13H2,1-3H3,(H,25,30)(H,26,31)/t14-,15-,18-,20-,21?/m0/s1
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WIPO WO2022021841
 36n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H31N3O6/c1-24(2)18-11-27(19(29)13-33-17-6-4-5-16(10-17)32-3)21(20(18)24)23(31)26-15(12-28)9-14-7-8-25-22(14)30/h4-6,10,12,14-15,18,20-21H,7-9,11,13H2,1-3H3,(H,25,30)(H,26,31)/t14-,15-,18-,20-,21?/m0/s1
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WIPO WO2022021841
 37n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H29FN4O3S/c24-17-5-1-3-14(9-17)11-26-23(32)28-12-16-4-2-6-19(16)20(28)22(31)27-18(13-29)10-15-7-8-25-21(15)30/h1,3,5,9,13,15-16,18-20H,2,4,6-8,10-12H2,(H,25,30)(H,26,32)(H,27,31)/t15-,16-,18-,19+,20?/m0/s1
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WIPO WO2022021841
 37n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C28H38Cl2N4O4/c1-28(2,3)24(32-13-17-7-8-19(29)12-22(17)30)27(38)34-14-18-5-4-6-21(18)23(34)26(37)33-20(15-35)11-16-9-10-31-25(16)36/h7-8,12,15-16,18,20-21,23-24,32H,4-6,9-11,13-14H2,1-3H3,(H,31,36)(H,33,37)/t16-,18-,20-,21+,23?,24?/m0/s1
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WIPO WO2022021841
 39n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535831
PNG
(WO2022021841, 67)
Show SMILES Clc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c(Cl)c1
Show InChI InChI=1S/C24H29Cl2N3O4/c25-17-6-4-14(20(26)11-17)5-7-21(31)29-12-16-2-1-3-19(16)22(29)24(33)28-18(13-30)10-15-8-9-27-23(15)32/h4,6,11,13,15-16,18-19,22H,1-3,5,7-10,12H2,(H,27,32)(H,28,33)/t15-,16-,18-,19+,22?/m0/s1
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WIPO WO2022021841
 40n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C26H33F2N3O5/c1-26(2,36-14-17-6-7-18(27)11-21(17)28)25(35)31-12-16-4-3-5-20(16)22(31)24(34)30-19(13-32)10-15-8-9-29-23(15)33/h6-7,11,13,15-16,19-20,22H,3-5,8-10,12,14H2,1-2H3,(H,29,33)(H,30,34)/t15-,16-,19-,20+,22?/m0/s1
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WIPO WO2022021841
 40n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H25Cl2F2N3O5/c24-14-4-5-18(17(25)9-14)35-23(26,27)22(34)30-10-13-2-1-3-16(13)19(30)21(33)29-15(11-31)8-12-6-7-28-20(12)32/h4-5,9,11-13,15-16,19H,1-3,6-8,10H2,(H,28,32)(H,29,33)/t12-,13-,15-,16+,19?/m0/s1
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WIPO WO2022021841
 40n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535841
PNG
(WO2022021841, 75)
Show SMILES Oc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1O
Show InChI InChI=1S/C24H31N3O6/c28-13-17(11-15-8-9-25-23(15)32)26-24(33)22-18-3-1-2-16(18)12-27(22)21(31)7-5-14-4-6-19(29)20(30)10-14/h4,6,10,13,15-18,22,29-30H,1-3,5,7-9,11-12H2,(H,25,32)(H,26,33)/t15-,16-,17-,18+,22?/m0/s1
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WIPO WO2022021841
 41n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535829
PNG
(WO2022021841, 65)
Show SMILES Clc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1
Show InChI InChI=1S/C24H30ClN3O4/c25-18-7-4-15(5-8-18)6-9-21(30)28-13-17-2-1-3-20(17)22(28)24(32)27-19(14-29)12-16-10-11-26-23(16)31/h4-5,7-8,14,16-17,19-20,22H,1-3,6,9-13H2,(H,26,31)(H,27,32)/t16-,17-,19-,20+,22?/m0/s1
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WIPO WO2022021841
 44n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535275
PNG
(WO2022021841, 28)
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)cc1F
Show InChI InChI=1S/C24H30FN3O6/c1-24(2)16-10-28(19(30)12-34-15-4-5-18(33-3)17(25)9-15)21(20(16)24)23(32)27-14(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-14,16,20-21H,6-8,10,12H2,1-3H3,(H,26,31)(H,27,32)/t13-,14-,16-,20-,21?/m0/s1
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WIPO WO2022021841
 47n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535842
PNG
(WO2022021841, 76)
Show SMILES COc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1
Show InChI InChI=1S/C25H33N3O5/c1-33-20-8-5-16(6-9-20)7-10-22(30)28-14-18-3-2-4-21(18)23(28)25(32)27-19(15-29)13-17-11-12-26-24(17)31/h5-6,8-9,15,17-19,21,23H,2-4,7,10-14H2,1H3,(H,26,31)(H,27,32)/t17-,18-,19-,21+,23?/m0/s1
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WIPO WO2022021841
 51n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535285
PNG
(WO2022021841, 35)
Show SMILES COc1cc(OCC(=O)N2C[C@H]3[C@@H](C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)C3(C)C)cc(OC)c1OC
Show InChI InChI=1S/C26H35N3O8/c1-26(2)17-11-29(20(31)13-37-16-9-18(34-3)23(36-5)19(10-16)35-4)22(21(17)26)25(33)28-15(12-30)8-14-6-7-27-24(14)32/h9-10,12,14-15,17,21-22H,6-8,11,13H2,1-5H3,(H,27,32)(H,28,33)/t14-,15-,17-,21-,22?/m0/s1
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WIPO WO2022021841
 51n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535840
PNG
(WO2022021841, 74)
Show SMILES Oc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1
Show InChI InChI=1S/C24H31N3O5/c28-14-18(12-16-10-11-25-23(16)31)26-24(32)22-20-3-1-2-17(20)13-27(22)21(30)9-6-15-4-7-19(29)8-5-15/h4-5,7-8,14,16-18,20,22,29H,1-3,6,9-13H2,(H,25,31)(H,26,32)/t16-,17-,18-,20+,22?/m0/s1
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WIPO WO2022021841
 51n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535274
PNG
(WO2022021841, 27)
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)COc1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N3O5/c1-27(2)21-13-30(22(32)15-35-20-8-7-16-5-3-4-6-17(16)12-20)24(23(21)27)26(34)29-19(14-31)11-18-9-10-28-25(18)33/h3-8,12,14,18-19,21,23-24H,9-11,13,15H2,1-2H3,(H,28,33)(H,29,34)/t18-,19-,21-,23-,24?/m0/s1
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WIPO WO2022021841
 54n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535297
PNG
(WO2022021841, 41)
Show SMILES CC1CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@@H]2CCC[C@H]2CN1C(=O)C(C)(C)Oc1ccc(Cl)cc1Cl)C=O
Show InChI InChI=1S/C26H33Cl2N3O5/c1-14-11-29-23(33)19(14)10-17(13-32)30-24(34)22-18-6-4-5-15(18)12-31(22)25(35)26(2,3)36-21-8-7-16(27)9-20(21)28/h7-9,13-15,17-19,22H,4-6,10-12H2,1-3H3,(H,29,33)(H,30,34)/t14?,15-,17-,18+,19+,22?/m0/s1
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WIPO WO2022021841
 56n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535843
PNG
(WO2022021841, 77)
Show SMILES COc1ccc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c(Cl)c1
Show InChI InChI=1S/C25H32ClN3O5/c1-34-19-7-5-15(21(26)12-19)6-8-22(31)29-13-17-3-2-4-20(17)23(29)25(33)28-18(14-30)11-16-9-10-27-24(16)32/h5,7,12,14,16-18,20,23H,2-4,6,8-11,13H2,1H3,(H,27,32)(H,28,33)/t16-,17-,18-,20+,23?/m0/s1
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WIPO WO2022021841
 56n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535845
PNG
(WO2022021841, 79)
Show SMILES CC1CNC(=O)[C@@H]1C[C@H](NC(=O)C1[C@H]2[C@H](CN1C(=O)COc1ccc(OC(F)(F)F)cc1)C2(C)C)C(=O)CF
Show InChI InChI=1S/C26H31F4N3O6/c1-13-10-31-23(36)16(13)8-18(19(34)9-27)32-24(37)22-21-17(25(21,2)3)11-33(22)20(35)12-38-14-4-6-15(7-5-14)39-26(28,29)30/h4-7,13,16-18,21-22H,8-12H2,1-3H3,(H,31,36)(H,32,37)/t13?,16-,17+,18+,21-,22?/m1/s1
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WIPO WO2022021841
 65n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535844
PNG
(WO2022021841, 78)
Show SMILES COc1cccc(CCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c1
Show InChI InChI=1S/C25H33N3O5/c1-33-20-6-2-4-16(12-20)8-9-22(30)28-14-18-5-3-7-21(18)23(28)25(32)27-19(15-29)13-17-10-11-26-24(17)31/h2,4,6,12,15,17-19,21,23H,3,5,7-11,13-14H2,1H3,(H,26,31)(H,27,32)/t17-,18-,19-,21+,23?/m0/s1
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WIPO WO2022021841
 68n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535246
PNG
(WO2022021841, 21)
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)COc1ccc2OCOc2c1
Show InChI InChI=1S/C24H29N3O7/c1-24(2)16-9-27(19(29)11-32-15-3-4-17-18(8-15)34-12-33-17)21(20(16)24)23(31)26-14(10-28)7-13-5-6-25-22(13)30/h3-4,8,10,13-14,16,20-21H,5-7,9,11-12H2,1-2H3,(H,25,30)(H,26,31)/t13-,14-,16-,20-,21?/m0/s1
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WIPO WO2022021841
 73n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535276
PNG
(WO2022021841, 29)
Show SMILES COc1ccc(OC(C)C(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)cc1
Show InChI InChI=1S/C25H33N3O6/c1-15(34-20-8-6-19(33-2)7-9-20)25(32)28-13-17-4-3-5-21(17)22(28)24(31)27-18(14-29)12-16-10-11-26-23(16)30/h6-9,14-18,21-22H,3-5,10-13H2,1-2H3,(H,26,30)(H,27,31)/t15?,16-,17-,18-,21+,22?/m0/s1
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WIPO WO2022021841
 78n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535836
PNG
(WO2022021841, 70)
Show SMILES Clc1ccc(\C=C\C(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=O)c(Cl)c1
Show InChI InChI=1S/C24H27Cl2N3O4/c25-17-6-4-14(20(26)11-17)5-7-21(31)29-12-16-2-1-3-19(16)22(29)24(33)28-18(13-30)10-15-8-9-27-23(15)32/h4-7,11,13,15-16,18-19,22H,1-3,8-10,12H2,(H,27,32)(H,28,33)/b7-5+/t15-,16-,18-,19+,22?/m0/s1
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WIPO WO2022021841
 81n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535291
PNG
(WO2022021841, 38)
Show SMILES CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C27H29Cl2N3O5/c1-27(2,37-23-8-7-19(28)13-21(23)29)26(36)32-14-18-6-4-3-5-16(18)12-22(32)25(35)31-20(15-33)11-17-9-10-30-24(17)34/h3-8,13,15,17,20,22H,9-12,14H2,1-2H3,(H,30,34)(H,31,35)/t17-,20-,22?/m0/s1
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WIPO WO2022021841
 91n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535248
PNG
(WO2022021841, 22)
Show SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)C1[C@@H]2CCC[C@H]2CN1C(=O)COc1ccc2OCCOc2c1
Show InChI InChI=1S/C25H31N3O7/c29-13-17(10-15-6-7-26-24(15)31)27-25(32)23-19-3-1-2-16(19)12-28(23)22(30)14-35-18-4-5-20-21(11-18)34-9-8-33-20/h4-5,11,13,15-17,19,23H,1-3,6-10,12,14H2,(H,26,31)(H,27,32)/t15-,16-,17-,19+,23?/m0/s1
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WIPO WO2022021841
 93n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535833
PNG
(WO2022021841, 69)
Show SMILES CC(Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@@H]2CCC[C@H]2C1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C24H29Cl2N3O5/c1-13(34-20-6-5-16(25)10-19(20)26)24(33)29-11-15-3-2-4-18(15)21(29)23(32)28-17(12-30)9-14-7-8-27-22(14)31/h5-6,10,12-15,17-18,21H,2-4,7-9,11H2,1H3,(H,27,31)(H,28,32)/t13?,14-,15-,17-,18+,21?/m0/s1
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WIPO WO2022021841
 107n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535173
PNG
(WO2022021841, 2)
Show SMILES COC(=O)C[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)\C=C\c1ccccc1)C2(C)C)C(=O)CF
Show InChI InChI=1S/C23H27FN2O5/c1-23(2)15-13-26(18(28)10-9-14-7-5-4-6-8-14)21(20(15)23)22(30)25-16(17(27)12-24)11-19(29)31-3/h4-10,15-16,20-21H,11-13H2,1-3H3,(H,25,30)/b10-9+/t15-,16-,20-,21-/m0/s1
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WIPO WO2022021841
 110n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535230
PNG
(WO2022021841, 16)
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)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H29N3O4/c1-26(2)20-13-29(25(33)18-8-7-15-5-3-4-6-16(15)11-18)22(21(20)26)24(32)28-19(14-30)12-17-9-10-27-23(17)31/h3-8,11,14,17,19-22H,9-10,12-13H2,1-2H3,(H,27,31)(H,28,32)/t17-,19-,20-,21-,22?/m0/s1
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WIPO WO2022021841
 343n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535217
PNG
(WO2022021841, 10)
Show SMILES CC1(C)[C@H]2CN(C([C@@H]12)C(=O)N[C@@H](Cc1ccccc1)C=O)C(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C28H28N2O3/c1-28(2)23-16-30(27(33)21-13-12-19-10-6-7-11-20(19)15-21)25(24(23)28)26(32)29-22(17-31)14-18-8-4-3-5-9-18/h3-13,15,17,22-25H,14,16H2,1-2H3,(H,29,32)/t22-,23-,24-,25?/m0/s1
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WIPO WO2022021841
 585n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535814
PNG
(WO2022021841, 52)
Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NC2CC2)c(Cl)c1
Show InChI InChI=1S/C27H32Cl2N4O6/c28-16-4-7-21(19(29)11-16)39-13-22(34)33-12-15-2-1-3-18(15)23(33)26(37)32-20(10-14-8-9-30-25(14)36)24(35)27(38)31-17-5-6-17/h4,7,11,14-15,17-18,20,23H,1-3,5-6,8-10,12-13H2,(H,30,36)(H,31,38)(H,32,37)/t14-,15-,18+,20-,23?/m0/s1
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WIPO WO2022021841
 875n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535218
PNG
(WO2022021841, 11)
Show SMILES CCC[C@@H](NC(=O)C1[C@@H]2CCC[C@H]2CN1C(=O)c1cc2ccccc2[nH]1)C(=O)C(=O)NC1CC1
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WIPO WO2022021841
 960n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535171
PNG
(WO2022021841, 1)
Show SMILES COC(=O)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1)C(=O)CF
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WIPO WO2022021841
 1.10E+3n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535812
PNG
(WO2022021841, 50)
Show SMILES CC(C)(C)NC(=O)C(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)C1[C@@H]2CCC[C@H]2CN1C(=O)COc1ccc(Cl)cc1Cl
Show InChI InChI=1S/C28H36Cl2N4O6/c1-28(2,3)33-27(39)24(36)20(11-15-9-10-31-25(15)37)32-26(38)23-18-6-4-5-16(18)13-34(23)22(35)14-40-21-8-7-17(29)12-19(21)30/h7-8,12,15-16,18,20,23H,4-6,9-11,13-14H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)/t15-,16-,18+,20-,23?/m0/s1
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WIPO WO2022021841
 1.19E+3n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535220
PNG
(WO2022021841, 12)
Show SMILES CCC[C@@H](NC(=O)C1[C@@H]2CCC[C@H]2CN1C(=O)[C@H](C(C)C)c1ccccc1)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C28H39N3O4/c1-4-9-22(25(32)27(34)29-20-14-15-20)30-26(33)24-21-13-8-12-19(21)16-31(24)28(35)23(17(2)3)18-10-6-5-7-11-18/h5-7,10-11,17,19-24H,4,8-9,12-16H2,1-3H3,(H,29,34)(H,30,33)/t19-,21+,22+,23+,24?/m0/s1
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WIPO WO2022021841
 1.69E+4n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535216
PNG
(WO2022021841, 9)
Show SMILES CC1(C)[C@H]2CN(C([C@@H]12)C(=O)N[C@@H](Cc1ccccc1)C=O)C(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C27H27N3O3/c1-27(2)20-15-30(26(33)22-13-12-18-10-6-7-11-21(18)29-22)24(23(20)27)25(32)28-19(16-31)14-17-8-4-3-5-9-17/h3-13,16,19-20,23-24H,14-15H2,1-2H3,(H,28,32)/t19-,20-,23-,24?/m0/s1
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WIPO WO2022021841
 2.42E+4n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535813
PNG
(WO2022021841, 51)
Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c(Cl)c1
Show InChI InChI=1S/C31H34Cl2N4O6/c32-21-9-10-25(23(33)14-21)43-17-26(38)37-16-20-7-4-8-22(20)27(37)30(41)36-24(13-19-11-12-34-29(19)40)28(39)31(42)35-15-18-5-2-1-3-6-18/h1-3,5-6,9-10,14,19-20,22,24,27H,4,7-8,11-13,15-17H2,(H,34,40)(H,35,42)(H,36,41)/t19-,20-,22+,24-,27?/m0/s1
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WIPO WO2022021841
 5.04E+4n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535815
PNG
(WO2022021841, 53)
Show SMILES Clc1ccc(OCC(=O)N2C[C@@H]3CCC[C@H]3C2C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccn2)c(Cl)c1
Show InChI InChI=1S/C30H33Cl2N5O6/c31-19-7-8-24(22(32)13-19)43-16-25(38)37-15-18-4-3-6-21(18)26(37)29(41)36-23(12-17-9-11-34-28(17)40)27(39)30(42)35-14-20-5-1-2-10-33-20/h1-2,5,7-8,10,13,17-18,21,23,26H,3-4,6,9,11-12,14-16H2,(H,34,40)(H,35,42)(H,36,41)/t17-,18-,21+,23-,26?/m0/s1
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WIPO WO2022021841
 6.31E+4n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535222
PNG
(WO2022021841, 13)
Show SMILES CCC[C@@H](NC(=O)C1C2[C@H](CN1C(=O)[C@H](C(C)C)c1ccccc1)C2(C)C)C(=O)C(=O)NC1CC1
Show InChI InChI=1S/C28H39N3O4/c1-6-10-20(24(32)26(34)29-18-13-14-18)30-25(33)23-22-19(28(22,4)5)15-31(23)27(35)21(16(2)3)17-11-8-7-9-12-17/h7-9,11-12,16,18-23H,6,10,13-15H2,1-5H3,(H,29,34)(H,30,33)/t19-,20+,21+,22?,23?/m0/s1
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WIPO WO2022021841
 8.27E+4n/an/an/an/an/an/an/an/a



SICHUAN UNIVERSITY

WIPO


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...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535275
PNG
(WO2022021841, 28)
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)cc1F
Show InChI InChI=1S/C24H30FN3O6/c1-24(2)16-10-28(19(30)12-34-15-4-5-18(33-3)17(25)9-15)21(20(16)24)23(32)27-14(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-14,16,20-21H,6-8,10,12H2,1-3H3,(H,26,31)(H,27,32)/t13-,14-,16-,20-,21?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 4.68E+3n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27Cl2N3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12,14-15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 660n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27F2N3O5/c1-23(2)17-9-28(18(30)11-33-16-7-13(24)6-14(25)8-16)20(19(17)23)22(32)27-15(10-29)5-12-3-4-26-21(12)31/h6-8,10,12,15,17,19-20H,3-5,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,15-,17-,19-,20?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 1.54E+3n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27Cl2N3O5/c24-15-4-5-19(18(25)9-15)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-16(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-14,16-17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,16-,17-,21?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 540n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H28F3N3O6/c1-23(2)17-10-30(18(32)12-35-15-3-5-16(6-4-15)36-24(25,26)27)20(19(17)23)22(34)29-14(11-31)9-13-7-8-28-21(13)33/h3-6,11,13-14,17,19-20H,7-10,12H2,1-2H3,(H,28,33)(H,29,34)/t13-,14-,17-,19-,20?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 860n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H30ClN3O5/c1-14-9-17(25)5-6-20(14)33-13-21(30)28-11-16-3-2-4-19(16)22(28)24(32)27-18(12-29)10-15-7-8-26-23(15)31/h5-6,9,12,15-16,18-19,22H,2-4,7-8,10-11,13H2,1H3,(H,26,31)(H,27,32)/t15-,16-,18-,19+,22?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 1.50E+3n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H29F2N3O4/c25-17-8-14(9-18(26)11-17)4-5-21(31)29-12-16-2-1-3-20(16)22(29)24(33)28-19(13-30)10-15-6-7-27-23(15)32/h8-9,11,13,15-16,19-20,22H,1-7,10,12H2,(H,27,32)(H,28,33)/t15-,16-,19-,20-,22?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 5.63E+3n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27BrClN3O5/c1-23(2)15-9-28(18(30)11-33-17-4-3-13(24)8-16(17)25)20(19(15)23)22(32)27-14(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12,14-15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,14-,15-,19-,20?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 1.18E+3n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H31N3O6/c1-32-18-5-7-19(8-6-18)33-14-21(29)27-12-16-3-2-4-20(16)22(27)24(31)26-17(13-28)11-15-9-10-25-23(15)30/h5-8,13,15-17,20,22H,2-4,9-12,14H2,1H3,(H,25,30)(H,26,31)/t15-,16-,17-,20-,22?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 2.47E+4n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1S/C24H30FN3O4/c25-18-5-1-3-15(11-18)7-8-21(30)28-13-17-4-2-6-20(17)22(28)24(32)27-19(14-29)12-16-9-10-26-23(16)31/h1,3,5,11,14,16-17,19-20,22H,2,4,6-10,12-13H2,(H,26,31)(H,27,32)/t16-,17-,19-,20+,22?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 2.97E+3n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C24H30FN3O4/c1-24(2)18-12-28(19(30)7-6-14-4-3-5-16(25)10-14)21(20(18)24)23(32)27-17(13-29)11-15-8-9-26-22(15)31/h3-5,10,13,15,17-18,20-21H,6-9,11-12H2,1-2H3,(H,26,31)(H,27,32)/t15-,17-,18-,20-,21?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 2.23E+3n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27BrClN3O5/c1-23(2)15-9-28(18(30)11-33-14-3-4-17(25)16(24)8-14)20(19(15)23)22(32)27-13(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12-13,15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,13-,15-,19-,20?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 1.15E+3n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C25H33N3O7/c1-25(2)17-11-28(20(30)13-35-16-5-6-18(33-3)19(10-16)34-4)22(21(17)25)24(32)27-15(12-29)9-14-7-8-26-23(14)31/h5-6,10,12,14-15,17,21-22H,7-9,11,13H2,1-4H3,(H,26,31)(H,27,32)/t14-,15-,17-,21-,22?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 1.73E+3n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H28ClN3O5/c24-16-4-6-18(7-5-16)32-13-20(29)27-11-15-2-1-3-19(15)21(27)23(31)26-17(12-28)10-14-8-9-25-22(14)30/h4-7,12,14-15,17,19,21H,1-3,8-11,13H2,(H,25,30)(H,26,31)/t14-,15-,17-,19+,21?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 670n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H28ClN3O5/c1-23(2)17-10-27(18(29)12-32-16-5-3-14(24)4-6-16)20(19(17)23)22(31)26-15(11-28)9-13-7-8-25-21(13)30/h3-6,11,13,15,17,19-20H,7-10,12H2,1-2H3,(H,25,30)(H,26,31)/t13-,15-,17-,19-,20?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 530n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27F2N3O5/c1-23(2)15-9-28(18(30)11-33-14-3-4-16(24)17(25)8-14)20(19(15)23)22(32)27-13(10-29)7-12-5-6-26-21(12)31/h3-4,8,10,12-13,15,19-20H,5-7,9,11H2,1-2H3,(H,26,31)(H,27,32)/t12-,13-,15-,19-,20?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 5.57E+3n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(2019-nCoV)		BDBM535274
PNG
(WO2022021841, 27)
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)COc1ccc2ccccc2c1
Show InChI InChI=1S/C27H31N3O5/c1-27(2)21-13-30(22(32)15-35-20-8-7-16-5-3-4-6-17(16)12-20)24(23(21)27)26(34)29-19(14-31)11-18-9-10-28-25(18)33/h3-8,12,14,18-19,21,23-24H,9-11,13,15H2,1-2H3,(H,28,33)(H,29,34)/t18-,19-,21-,23-,24?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 1.27E+3n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

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
Show InChI InChI=1S/C23H27Cl2N3O5/c24-18-5-4-16(9-19(18)25)33-12-20(30)28-10-14-2-1-3-17(14)21(28)23(32)27-15(11-29)8-13-6-7-26-22(13)31/h4-5,9,11,13-15,17,21H,1-3,6-8,10,12H2,(H,26,31)(H,27,32)/t13-,14-,15-,17+,21?/m0/s1
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WIPO WO2022021841
n/an/an/an/a 830n/an/an/an/a



SICHUAN UNIVERSITY

WIPO


Assay Description
Vero E6 cells were plated at 20,000 cells/well in a 96-well plate. 24hr later, medium containing a dose response of NHC was added concurrent with SAR...

WIPO WO2022021841 (2022)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%