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Patent code WO2021219089

Compile Data Set for Download or QSAR
Found 190 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)
BDBM512574
PNG
(WO2021219089, INSCoV-517A (1A))
Show SMILES FC(F)(F)Oc1ccc(N([C@@H](C(=O)NC2CCC(F)(F)CC2)c2cncnc2)C(=O)CCl)c(c1)C#N
Show InChI InChI=1S/C22H19ClF5N5O3/c23-8-18(34)33(17-2-1-16(7-13(17)9-29)36-22(26,27)28)19(14-10-30-12-31-11-14)20(35)32-15-3-5-21(24,25)6-4-15/h1-2,7,10-12,15,19H,3-6,8H2,(H,32,35)/t19-/m1/s1
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WIPO WO2021219089
n/an/a 30n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512875
PNG
(WO2021219089, INSCoV-601Q (1A))
Show SMILES ClCC(=O)N([C@@H](C(=O)N[C@H]1CCOC1)c1cnccn1)c1ccc(cc1)-c1ccno1
Show InChI InChI=1S/C21H20ClN5O4/c22-11-19(28)27(16-3-1-14(2-4-16)18-5-7-25-31-18)20(17-12-23-8-9-24-17)21(29)26-15-6-10-30-13-15/h1-5,7-9,12,15,20H,6,10-11,13H2,(H,26,29)/t15-,20+/m0/s1
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WIPO WO2021219089
n/an/a 39n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512777
PNG
(WO2021219089, INCoV-600K (1))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)-c1cncs1)c1cncnc1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-9-20(32)31(18-3-1-15(2-4-18)19-12-29-14-34-19)21(16-10-27-13-28-11-16)22(33)30-17-5-7-23(25,26)8-6-17/h1-4,10-14,17,21H,5-9H2,(H,30,33)/t21-/m1/s1
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WIPO WO2021219089
n/an/a 50n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512832
PNG
(WO2021219089, INSCoV-601I (1))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)-c1ccns1)c1cnccn1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-13-20(32)31(17-3-1-15(2-4-17)19-7-10-29-34-19)21(18-14-27-11-12-28-18)22(33)30-16-5-8-23(25,26)9-6-16/h1-4,7,10-12,14,16,21H,5-6,8-9,13H2,(H,30,33)/t21-/m1/s1
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WIPO WO2021219089
n/an/a 50n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512694
PNG
(WO2021219089, INSCoV-614 (1B))
Show SMILES F[C@@H](Cl)C(=O)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(cc1)-c1cncs1
Show InChI InChI=1S/C23H21ClF3N5O2S/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-11-30-13-35-18)19(15-9-28-12-29-10-15)21(33)31-16-5-7-23(26,27)8-6-16/h1-4,9-13,16,19-20H,5-8H2,(H,31,33)/t19-,20+/m0/s1
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WIPO WO2021219089
n/an/a 60n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512687
PNG
(WO2021219089, INSCoV-601S (1A))
Show SMILES FC1(F)CCC(C1)NC(=O)[C@@H](N(C(=O)CCl)c1ccc(cc1)-c1cncs1)c1cncnc1
Show InChI InChI=1S/C22H20ClF2N5O2S/c23-8-19(31)30(17-3-1-14(2-4-17)18-11-28-13-33-18)20(15-9-26-12-27-10-15)21(32)29-16-5-6-22(24,25)7-16/h1-4,9-13,16,20H,5-8H2,(H,29,32)/t16?,20-/m0/s1
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WIPO WO2021219089
n/an/a 60n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512841
PNG
(WO2021219089, INSCoV-601K (1))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)-c1ccns1)c1cncnc1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-11-20(32)31(18-3-1-15(2-4-18)19-7-10-29-34-19)21(16-12-27-14-28-13-16)22(33)30-17-5-8-23(25,26)9-6-17/h1-4,7,10,12-14,17,21H,5-6,8-9,11H2,(H,30,33)/t21-/m1/s1
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WIPO WO2021219089
n/an/a 60n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512817
PNG
(WO2021219089, INSCoV-601G (1))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)-c1cncs1)c1cnccn1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-11-20(32)31(17-3-1-15(2-4-17)19-13-28-14-34-19)21(18-12-27-9-10-29-18)22(33)30-16-5-7-23(25,26)8-6-16/h1-4,9-10,12-14,16,21H,5-8,11H2,(H,30,33)/t21-/m1/s1
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WIPO WO2021219089
n/an/a 60n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512831
PNG
(WO2021219089, INSCoV-601I)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1ccns1)c1cnccn1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-13-20(32)31(17-3-1-15(2-4-17)19-7-10-29-34-19)21(18-14-27-11-12-28-18)22(33)30-16-5-8-23(25,26)9-6-16/h1-4,7,10-12,14,16,21H,5-6,8-9,13H2,(H,30,33)
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WIPO WO2021219089
n/an/a 62n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512774
PNG
(WO2021219089, INCoV-600J (1) | WO2021219089, INCoV...)
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)-c1ccno1)c1cncnc1
Show InChI InChI=1S/C23H22ClF2N5O3/c24-11-20(32)31(18-3-1-15(2-4-18)19-7-10-29-34-19)21(16-12-27-14-28-13-16)22(33)30-17-5-8-23(25,26)9-6-17/h1-4,7,10,12-14,17,21H,5-6,8-9,11H2,(H,30,33)/t21-/m1/s1
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WIPO WO2021219089
n/an/a 63n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512587
PNG
(WO2021219089, INSCoV-517C (3))
Show SMILES F[C@@H](Cl)C(=O)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(OC(F)(F)F)cc1C#N
Show InChI InChI=1S/C22H18ClF6N5O3/c23-18(24)20(36)34(16-2-1-15(7-12(16)8-30)37-22(27,28)29)17(13-9-31-11-32-10-13)19(35)33-14-3-5-21(25,26)6-4-14/h1-2,7,9-11,14,17-18H,3-6H2,(H,33,35)/t17-,18-/m1/s1
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WIPO WO2021219089
n/an/a 70n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512878
PNG
(WO2021219089, INSCoV-601Q (1B))
Show SMILES ClCC(=O)N([C@H](C(=O)N[C@H]1CCOC1)c1cnccn1)c1ccc(cc1)-c1ccno1
Show InChI InChI=1S/C21H20ClN5O4/c22-11-19(28)27(16-3-1-14(2-4-16)18-5-7-25-31-18)20(17-12-23-8-9-24-17)21(29)26-15-6-10-30-13-15/h1-5,7-9,12,15,20H,6,10-11,13H2,(H,26,29)/t15-,20-/m0/s1
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WIPO WO2021219089
n/an/a 71n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512776
PNG
(WO2021219089, INCoV-600K)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cncs1)c1cncnc1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-9-20(32)31(18-3-1-15(2-4-18)19-12-29-14-34-19)21(16-10-27-13-28-11-16)22(33)30-17-5-7-23(25,26)8-6-17/h1-4,10-14,17,21H,5-9H2,(H,30,33)
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WIPO WO2021219089
n/an/a 78n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512815
PNG
(WO2021219089, INSCoV-601G)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cncs1)c1cnccn1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-11-20(32)31(17-3-1-15(2-4-17)19-13-28-14-34-19)21(18-12-27-9-10-29-18)22(33)30-16-5-7-23(25,26)8-6-16/h1-4,9-10,12-14,16,21H,5-8,11H2,(H,30,33)
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WIPO WO2021219089
n/an/a 80n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512566
PNG
(WO2021219089, INSCoV-517 (1))
Show SMILES FC(F)(F)Oc1ccc(N([C@@H](C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)c(c1)C#N
Show InChI InChI=1S/C23H22ClF3N4O3/c24-12-20(32)31(19-9-8-18(11-16(19)13-28)34-23(25,26)27)21(15-5-4-10-29-14-15)22(33)30-17-6-2-1-3-7-17/h4-5,8-11,14,17,21H,1-3,6-7,12H2,(H,30,33)/t21-/m1/s1
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WIPO WO2021219089
n/an/a 80n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512891
PNG
(WO2021219089, INSCoV-601S)
Show SMILES FC1(F)CC[C@@H](C1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cncs1)c1cncnc1
Show InChI InChI=1S/C22H20ClF2N5O2S/c23-8-19(31)30(17-3-1-14(2-4-17)18-11-28-13-33-18)20(15-9-26-12-27-10-15)21(32)29-16-5-6-22(24,25)7-16/h1-4,9-13,16,20H,5-8H2,(H,29,32)/t16-,20?/m0/s1
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WIPO WO2021219089
n/an/a 90n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512573
PNG
(WO2021219089, INSCoV-517A)
Show SMILES FC(F)(F)Oc1ccc(N(C(C(=O)NC2CCC(F)(F)CC2)c2cncnc2)C(=O)CCl)c(c1)C#N
Show InChI InChI=1S/C22H19ClF5N5O3/c23-8-18(34)33(17-2-1-16(7-13(17)9-29)36-22(26,27)28)19(14-10-30-12-31-11-14)20(35)32-15-3-5-21(24,25)6-4-15/h1-2,7,10-12,15,19H,3-6,8H2,(H,32,35)
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WIPO WO2021219089
n/an/a 90n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512839
PNG
(WO2021219089, INSCoV-601K)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1ccns1)c1cncnc1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-11-20(32)31(18-3-1-15(2-4-18)19-7-10-29-34-19)21(16-12-27-14-28-13-16)22(33)30-17-5-8-23(25,26)9-6-17/h1-4,7,10,12-14,17,21H,5-6,8-9,11H2,(H,30,33)
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WIPO WO2021219089
n/an/a 100n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512829
PNG
(WO2021219089, INSCoV-601H)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1ccno1)c1cnccn1
Show InChI InChI=1S/C23H22ClF2N5O3/c24-13-20(32)31(17-3-1-15(2-4-17)19-7-10-29-34-19)21(18-14-27-11-12-28-18)22(33)30-16-5-8-23(25,26)9-6-16/h1-4,7,10-12,14,16,21H,5-6,8-9,13H2,(H,30,33)
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WIPO WO2021219089
n/an/a 100n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512581
PNG
(WO2021219089, INSCoV-517C)
Show SMILES FC(Cl)C(=O)N(C(C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(OC(F)(F)F)cc1C#N
Show InChI InChI=1S/C22H18ClF6N5O3/c23-18(24)20(36)34(16-2-1-15(7-12(16)8-30)37-22(27,28)29)17(13-9-31-11-32-10-13)19(35)33-14-3-5-21(25,26)6-4-14/h1-2,7,9-11,14,17-18H,3-6H2,(H,33,35)
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WIPO WO2021219089
n/an/a 110n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512773
PNG
(WO2021219089, INCoV-600J)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1ccno1)c1cncnc1
Show InChI InChI=1S/C23H22ClF2N5O3/c24-11-20(32)31(18-3-1-15(2-4-18)19-7-10-29-34-19)21(16-12-27-14-28-13-16)22(33)30-17-5-8-23(25,26)9-6-17/h1-4,7,10,12-14,17,21H,5-6,8-9,11H2,(H,30,33)
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WIPO WO2021219089
n/an/a 110n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512834
PNG
(WO2021219089, INSCoV-601J)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1ccns1)c1ccnnc1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-13-20(32)31(18-3-1-15(2-4-18)19-8-12-29-34-19)21(16-7-11-27-28-14-16)22(33)30-17-5-9-23(25,26)10-6-17/h1-4,7-8,11-12,14,17,21H,5-6,9-10,13H2,(H,30,33)
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WIPO WO2021219089
n/an/a 120n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512854
PNG
(WO2021219089, INSCoV-601N)
Show SMILES CC(N(C(=O)CCl)c1ccc(cc1)-c1ccns1)(C(=O)NC1CCC(F)(F)CC1)c1cnccn1
Show InChI InChI=1S/C24H24ClF2N5O2S/c1-23(20-15-28-12-13-29-20,22(34)31-17-6-9-24(26,27)10-7-17)32(21(33)14-25)18-4-2-16(3-5-18)19-8-11-30-35-19/h2-5,8,11-13,15,17H,6-7,9-10,14H2,1H3,(H,31,34)
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WIPO WO2021219089
n/an/a 120n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512879
PNG
(WO2021219089, INSCoV-601R)
Show SMILES ClCC(=O)N(C(C(=O)N[C@H]1CCOC1)c1cncnc1)c1ccc(cc1)-c1cncs1
Show InChI InChI=1S/C21H20ClN5O3S/c22-7-19(28)27(17-3-1-14(2-4-17)18-10-25-13-31-18)20(15-8-23-12-24-9-15)21(29)26-16-5-6-30-11-16/h1-4,8-10,12-13,16,20H,5-7,11H2,(H,26,29)/t16-,20?/m0/s1
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WIPO WO2021219089
n/an/a 120n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512865
PNG
(WO2021219089, INSCoV-601N (1))
Show SMILES C[C@@](N(C(=O)CCl)c1ccc(cc1)-c1ccns1)(C(=O)NC1CCC(F)(F)CC1)c1cnccn1
Show InChI InChI=1S/C24H24ClF2N5O2S/c1-23(20-15-28-12-13-29-20,22(34)31-17-6-9-24(26,27)10-7-17)32(21(33)14-25)18-4-2-16(3-5-18)19-8-11-30-35-19/h2-5,8,11-13,15,17H,6-7,9-10,14H2,1H3,(H,31,34)/t23-/m0/s1
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WIPO WO2021219089
n/an/a 130n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512814
PNG
(WO2021219089, INSCoV-601F)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cncs1)c1ccnnc1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-11-20(32)31(18-3-1-15(2-4-18)19-13-27-14-34-19)21(16-7-10-28-29-12-16)22(33)30-17-5-8-23(25,26)9-6-17/h1-4,7,10,12-14,17,21H,5-6,8-9,11H2,(H,30,33)
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WIPO WO2021219089
n/an/a 130n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512885
PNG
(WO2021219089, INSCoV-601R (1A))
Show SMILES ClCC(=O)N([C@@H](C(=O)N[C@H]1CCOC1)c1cncnc1)c1ccc(cc1)-c1cncs1
Show InChI InChI=1S/C21H20ClN5O3S/c22-7-19(28)27(17-3-1-14(2-4-17)18-10-25-13-31-18)20(15-8-23-12-24-9-15)21(29)26-16-5-6-30-11-16/h1-4,8-10,12-13,16,20H,5-7,11H2,(H,26,29)/t16-,20+/m0/s1
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WIPO WO2021219089
n/an/a 140n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512870
PNG
(WO2021219089, INSCoV-601P (1A))
Show SMILES C[C@@](N(C(=O)CCl)c1ccc(cc1)-c1ccno1)(C(=O)NC1CCC(F)(F)CC1)c1cncnc1
Show InChI InChI=1S/C24H24ClF2N5O3/c1-23(17-13-28-15-29-14-17,22(34)31-18-6-9-24(26,27)10-7-18)32(21(33)12-25)19-4-2-16(3-5-19)20-8-11-30-35-20/h2-5,8,11,13-15,18H,6-7,9-10,12H2,1H3,(H,31,34)/t23-/m0/s1
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WIPO WO2021219089
n/an/a 140n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512872
PNG
(WO2021219089, INSCoV-601Q)
Show SMILES ClCC(=O)N(C(C(=O)N[C@H]1CCOC1)c1cnccn1)c1ccc(cc1)-c1ccno1
Show InChI InChI=1S/C21H20ClN5O4/c22-11-19(28)27(16-3-1-14(2-4-16)18-5-7-25-31-18)20(17-12-23-8-9-24-17)21(29)26-15-6-10-30-13-15/h1-5,7-9,12,15,20H,6,10-11,13H2,(H,26,29)/t15-,20?/m0/s1
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WIPO WO2021219089
n/an/a 150n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512761
PNG
(WO2021219089, INCoV-600C (2B))
Show SMILES ClCC(=O)N([C@H](C(=O)N[C@@H]1CCOC1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C21H20ClN5O4/c22-7-19(28)27(17-3-1-14(2-4-17)18-10-25-13-31-18)20(15-8-23-12-24-9-15)21(29)26-16-5-6-30-11-16/h1-4,8-10,12-13,16,20H,5-7,11H2,(H,26,29)/t16-,20+/m1/s1
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WIPO WO2021219089
n/an/a 160n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512736
PNG
(WO2021219089, INCoV-600B (2A))
Show SMILES FC1(F)CC[C@@H](C1)NC(=O)[C@@H](N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C22H20ClF2N5O3/c23-8-19(31)30(17-3-1-14(2-4-17)18-11-28-13-33-18)20(15-9-26-12-27-10-15)21(32)29-16-5-6-22(24,25)7-16/h1-4,9-13,16,20H,5-8H2,(H,29,32)/t16-,20-/m0/s1
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WIPO WO2021219089
n/an/a 170n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512580
PNG
(WO2021219089, INSCoV-517B)
Show SMILES FC(F)(F)Oc1ccc(N(C(C(=O)NC2CCC(F)(F)CC2)c2cnccn2)C(=O)CCl)c(c1)C#N
Show InChI InChI=1S/C22H19ClF5N5O3/c23-10-18(34)33(17-2-1-15(9-13(17)11-29)36-22(26,27)28)19(16-12-30-7-8-31-16)20(35)32-14-3-5-21(24,25)6-4-14/h1-2,7-9,12,14,19H,3-6,10H2,(H,32,35)
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WIPO WO2021219089
n/an/a 170n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512690
PNG
(WO2021219089, INSCoV-601T)
Show SMILES COC(=O)c1ccc(NC(=O)[C@H](N(C(=O)CCl)c2ccc(cc2)-c2cncs2)c2cncnc2)[nH]1
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WIPO WO2021219089
n/an/a 170n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512703
PNG
(WO2021219089, INSCoV-614A (1B) | WO2021219089, INS...)
Show SMILES F[C@@H](Cl)C(=O)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(cc1)-c1ccno1
Show InChI InChI=1S/C23H21ClF3N5O3/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-7-10-30-35-18)19(15-11-28-13-29-12-15)21(33)31-16-5-8-23(26,27)9-6-16/h1-4,7,10-13,16,19-20H,5-6,8-9H2,(H,31,33)/t19-,20-/m1/s1
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WIPO WO2021219089
n/an/a 180n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512735
PNG
(WO2021219089, INCoV-600B (2))
Show SMILES FC1(F)CC[C@@H](C1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C22H20ClF2N5O3/c23-8-19(31)30(17-3-1-14(2-4-17)18-11-28-13-33-18)20(15-9-26-12-27-10-15)21(32)29-16-5-6-22(24,25)7-16/h1-4,9-13,16,20H,5-8H2,(H,29,32)/t16-,20?/m0/s1
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WIPO WO2021219089
n/an/a 190n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512844
PNG
(WO2021219089, INSCoV-601K (2))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@@H](N(C(=O)CCl)c1ccc(cc1)-c1ccns1)c1cncnc1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-11-20(32)31(18-3-1-15(2-4-18)19-7-10-29-34-19)21(16-12-27-14-28-13-16)22(33)30-17-5-8-23(25,26)9-6-17/h1-4,7,10,12-14,17,21H,5-6,8-9,11H2,(H,30,33)/t21-/m0/s1
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WIPO WO2021219089
n/an/a 190n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512757
PNG
(WO2021219089, INCoV-600C (2))
Show SMILES ClCC(=O)N(C(C(=O)N[C@@H]1CCOC1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C21H20ClN5O4/c22-7-19(28)27(17-3-1-14(2-4-17)18-10-25-13-31-18)20(15-8-23-12-24-9-15)21(29)26-16-5-6-30-11-16/h1-4,8-10,12-13,16,20H,5-7,11H2,(H,26,29)/t16-,20?/m1/s1
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WIPO WO2021219089
n/an/a 200n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512833
PNG
(WO2021219089, INSCoV-601I (2))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@@H](N(C(=O)CCl)c1ccc(cc1)-c1ccns1)c1cnccn1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-13-20(32)31(17-3-1-15(2-4-17)19-7-10-29-34-19)21(18-14-27-11-12-28-18)22(33)30-16-5-8-23(25,26)9-6-16/h1-4,7,10-12,14,16,21H,5-6,8-9,13H2,(H,30,33)/t21-/m0/s1
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WIPO WO2021219089
n/an/a 210n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512749
PNG
(WO2021219089, INCoV-600C)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCOC1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C21H20ClN5O4/c22-7-19(28)27(17-3-1-14(2-4-17)18-10-25-13-31-18)20(15-8-23-12-24-9-15)21(29)26-16-5-6-30-11-16/h1-4,8-10,12-13,16,20H,5-7,11H2,(H,26,29)
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WIPO WO2021219089
n/an/a 220n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512641
PNG
(WO2021219089, INSCoV-538A (1))
Show SMILES CC(C)(C)c1ccc(cc1)N(C(=O)CCl)[C@@](C)(C(=O)NC1CCCCC1)c1cccnc1
Show InChI InChI=1S/C26H34ClN3O2/c1-25(2,3)19-12-14-22(15-13-19)30(23(31)17-27)26(4,20-9-8-16-28-18-20)24(32)29-21-10-6-5-7-11-21/h8-9,12-16,18,21H,5-7,10-11,17H2,1-4H3,(H,29,32)/t26-/m1/s1
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WIPO WO2021219089
n/an/a 230n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512565
PNG
(WO2021219089, INSCoV-517)
Show SMILES FC(F)(F)Oc1ccc(N(C(C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)c(c1)C#N
Show InChI InChI=1S/C23H22ClF3N4O3/c24-12-20(32)31(19-9-8-18(11-16(19)13-28)34-23(25,26)27)21(15-5-4-10-29-14-15)22(33)30-17-6-2-1-3-7-17/h4-5,8-11,14,17,21H,1-3,6-7,12H2,(H,30,33)
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WIPO WO2021219089
n/an/a 240n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512478
PNG
(WO2021219089, INSCoV-501S)
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@@H](N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cnccn1
Show InChI InChI=1S/C23H22ClF2N5O3/c24-11-20(32)31(17-3-1-15(2-4-17)19-13-28-14-34-19)21(18-12-27-9-10-29-18)22(33)30-16-5-7-23(25,26)8-6-16/h1-4,9-10,12-14,16,21H,5-8,11H2,(H,30,33)/t21-/m0/s1
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WIPO WO2021219089
n/an/a 240n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512731
PNG
(WO2021219089, INCoV-600B (1))
Show SMILES FC1(F)CC[C@H](C1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C22H20ClF2N5O3/c23-8-19(31)30(17-3-1-14(2-4-17)18-11-28-13-33-18)20(15-9-26-12-27-10-15)21(32)29-16-5-6-22(24,25)7-16/h1-4,9-13,16,20H,5-8H2,(H,29,32)/t16-,20?/m1/s1
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WIPO WO2021219089
n/an/a 250n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512440
PNG
(WO2021219089, INSCoV-501G)
Show SMILES Cc1cc(ccc1N(C(C(=O)NC1CCCCC1)c1cncnc1)C(=O)CCl)-c1cnco1
Show InChI InChI=1S/C24H26ClN5O3/c1-16-9-17(21-13-28-15-33-21)7-8-20(16)30(22(31)10-25)23(18-11-26-14-27-12-18)24(32)29-19-5-3-2-4-6-19/h7-9,11-15,19,23H,2-6,10H2,1H3,(H,29,32)
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WIPO WO2021219089
n/an/a 260n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512751
PNG
(WO2021219089, INCoV-600C (1))
Show SMILES ClCC(=O)N(C(C(=O)N[C@H]1CCOC1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C21H20ClN5O4/c22-7-19(28)27(17-3-1-14(2-4-17)18-10-25-13-31-18)20(15-8-23-12-24-9-15)21(29)26-16-5-6-30-11-16/h1-4,8-10,12-13,16,20H,5-7,11H2,(H,26,29)/t16-,20?/m0/s1
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WIPO WO2021219089
n/an/a 270n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512627
PNG
(WO2021219089, INSCoV-537I)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1ccnnc1
Show InChI InChI=1S/C23H22ClF2N5O3/c24-11-20(32)31(18-3-1-15(2-4-18)19-13-27-14-34-19)21(16-7-10-28-29-12-16)22(33)30-17-5-8-23(25,26)9-6-17/h1-4,7,10,12-14,17,21H,5-6,8-9,11H2,(H,30,33)
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WIPO WO2021219089
n/an/a 270n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512818
PNG
(WO2021219089, INSCoV-601G (2))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@@H](N(C(=O)CCl)c1ccc(cc1)-c1cncs1)c1cnccn1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-11-20(32)31(17-3-1-15(2-4-17)19-13-28-14-34-19)21(18-12-27-9-10-29-18)22(33)30-16-5-7-23(25,26)8-6-16/h1-4,9-10,12-14,16,21H,5-8,11H2,(H,30,33)/t21-/m0/s1
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WIPO WO2021219089
n/an/a 270n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512638
PNG
(WO2021219089, INSCoV-538)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cnccn1)C(=O)CCl
Show InChI InChI=1S/C24H31ClN4O2/c1-24(2,3)17-9-11-19(12-10-17)29(21(30)15-25)22(20-16-26-13-14-27-20)23(31)28-18-7-5-4-6-8-18/h9-14,16,18,22H,4-8,15H2,1-3H3,(H,28,31)
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WIPO WO2021219089
n/an/a 280n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512423
PNG
(WO2021219089, INSCoV-501A)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C23H24ClN5O3/c24-10-21(30)29(19-8-6-16(7-9-19)20-13-27-15-32-20)22(17-11-25-14-26-12-17)23(31)28-18-4-2-1-3-5-18/h6-9,11-15,18,22H,1-5,10H2,(H,28,31)
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WIPO WO2021219089
n/an/a 290n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512730
PNG
(WO2021219089, INCoV-600B)
Show SMILES FC1(F)CCC(C1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C22H20ClF2N5O3/c23-8-19(31)30(17-3-1-14(2-4-17)18-11-28-13-33-18)20(15-9-26-12-27-10-15)21(32)29-16-5-6-22(24,25)7-16/h1-4,9-13,16,20H,5-8H2,(H,29,32)
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WIPO WO2021219089
n/an/a 290n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512847
PNG
(WO2021219089, INSCoV-601L)
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)-c1ccccc1)c1cncnc1
Show InChI InChI=1S/C26H25ClF2N4O2/c27-14-23(34)33(22-8-6-19(7-9-22)18-4-2-1-3-5-18)24(20-15-30-17-31-16-20)25(35)32-21-10-12-26(28,29)13-11-21/h1-9,15-17,21,24H,10-14H2,(H,32,35)/t24-/m1/s1
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WIPO WO2021219089
n/an/a 300n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512734
PNG
(WO2021219089, INCoV-600B (1B))
Show SMILES FC1(F)CC[C@H](C1)NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C22H20ClF2N5O3/c23-8-19(31)30(17-3-1-14(2-4-17)18-11-28-13-33-18)20(15-9-26-12-27-10-15)21(32)29-16-5-6-22(24,25)7-16/h1-4,9-13,16,20H,5-8H2,(H,29,32)/t16-,20-/m1/s1
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WIPO WO2021219089
n/an/a 310n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512738
PNG
(WO2021219089, INCoV-600B (2B))
Show SMILES FC1(F)CC[C@@H](C1)NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C22H20ClF2N5O3/c23-8-19(31)30(17-3-1-14(2-4-17)18-11-28-13-33-18)20(15-9-26-12-27-10-15)21(32)29-16-5-6-22(24,25)7-16/h1-4,9-13,16,20H,5-8H2,(H,29,32)/t16-,20+/m0/s1
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WIPO WO2021219089
n/an/a 310n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512756
PNG
(WO2021219089, INCoV-600C (1B))
Show SMILES ClCC(=O)N([C@@H](C(=O)N[C@H]1CCOC1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C21H20ClN5O4/c22-7-19(28)27(17-3-1-14(2-4-17)18-10-25-13-31-18)20(15-8-23-12-24-9-15)21(29)26-16-5-6-30-11-16/h1-4,8-10,12-13,16,20H,5-7,11H2,(H,26,29)/t16-,20+/m0/s1
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WIPO WO2021219089
n/an/a 310n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512693
PNG
(WO2021219089, INSCoV-614)
Show SMILES FC(Cl)C(=O)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(cc1)-c1cncs1
Show InChI InChI=1S/C23H21ClF3N5O2S/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-11-30-13-35-18)19(15-9-28-12-29-10-15)21(33)31-16-5-7-23(26,27)8-6-16/h1-4,9-13,16,19-20H,5-8H2,(H,31,33)/t19-,20?/m1/s1
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WIPO WO2021219089
n/an/a 330n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512650
PNG
(WO2021219089, INSCoV-558)
Show SMILES Fc1cccc(CCN(C(C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)c1
Show InChI InChI=1S/C23H27ClFN3O2/c24-15-21(29)28(13-11-17-6-4-8-19(25)14-17)22(18-7-5-12-26-16-18)23(30)27-20-9-2-1-3-10-20/h4-8,12,14,16,20,22H,1-3,9-11,13,15H2,(H,27,30)
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WIPO WO2021219089
n/an/a 330n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512752
PNG
(WO2021219089, INCoV-600C (1A))
Show SMILES ClCC(=O)N([C@H](C(=O)N[C@H]1CCOC1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C21H20ClN5O4/c22-7-19(28)27(17-3-1-14(2-4-17)18-10-25-13-31-18)20(15-8-23-12-24-9-15)21(29)26-16-5-6-30-11-16/h1-4,8-10,12-13,16,20H,5-7,11H2,(H,26,29)/t16-,20-/m0/s1
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WIPO WO2021219089
n/an/a 340n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512733
PNG
(WO2021219089, INCoV-600B (1A))
Show SMILES FC1(F)CC[C@H](C1)NC(=O)[C@@H](N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C22H20ClF2N5O3/c23-8-19(31)30(17-3-1-14(2-4-17)18-11-28-13-33-18)20(15-9-26-12-27-10-15)21(32)29-16-5-6-22(24,25)7-16/h1-4,9-13,16,20H,5-8H2,(H,29,32)/t16-,20+/m1/s1
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WIPO WO2021219089
n/an/a 340n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512630
PNG
(WO2021219089, INSCoV-537K)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1ccno1)c1ccnnc1
Show InChI InChI=1S/C23H22ClF2N5O3/c24-13-20(32)31(18-3-1-15(2-4-18)19-8-12-29-34-19)21(16-7-11-27-28-14-16)22(33)30-17-5-9-23(25,26)10-6-17/h1-4,7-8,11-12,14,17,21H,5-6,9-10,13H2,(H,30,33)
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WIPO WO2021219089
n/an/a 360n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512869
PNG
(WO2021219089, INSCoV-601P)
Show SMILES CC(N(C(=O)CCl)c1ccc(cc1)-c1ccno1)(C(=O)NC1CCC(F)(F)CC1)c1cncnc1
Show InChI InChI=1S/C24H24ClF2N5O3/c1-23(17-13-28-15-29-14-17,22(34)31-18-6-9-24(26,27)10-7-18)32(21(33)12-25)19-4-2-16(3-5-19)20-8-11-30-35-20/h2-5,8,11,13-15,18H,6-7,9-10,12H2,1H3,(H,31,34)
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WIPO WO2021219089
n/an/a 380n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512447
PNG
(WO2021219089, INSCoV-501I)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C23H22ClF2N5O3/c24-9-20(32)31(18-3-1-15(2-4-18)19-12-29-14-34-19)21(16-10-27-13-28-11-16)22(33)30-17-5-7-23(25,26)8-6-17/h1-4,10-14,17,21H,5-9H2,(H,30,33)
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WIPO WO2021219089
n/an/a 390n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512655
PNG
(WO2021219089, INSCoV-558H)
Show SMILES CC(C)(C)OC(=O)CNC(=O)C(N(CCc1cccc(F)c1)C(=O)CCl)c1cccnc1
Show InChI InChI=1S/C23H27ClFN3O4/c1-23(2,3)32-20(30)15-27-22(31)21(17-7-5-10-26-14-17)28(19(29)13-24)11-9-16-6-4-8-18(25)12-16/h4-8,10,12,14,21H,9,11,13,15H2,1-3H3,(H,27,31)
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WIPO WO2021219089
n/an/a 400n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512452
PNG
(WO2021219089, INSCoV-501L)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cnccn1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C23H24ClN5O3/c24-12-21(30)29(18-8-6-16(7-9-18)20-14-26-15-32-20)22(19-13-25-10-11-27-19)23(31)28-17-4-2-1-3-5-17/h6-11,13-15,17,22H,1-5,12H2,(H,28,31)
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WIPO WO2021219089
n/an/a 400n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512728
PNG
(WO2021219089, INCoV-600A (3))
Show SMILES ClCC(=O)N(C(C(=O)NC1CCOCC1)c1cnccn1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C22H22ClN5O4/c23-11-20(29)28(17-3-1-15(2-4-17)19-13-25-14-32-19)21(18-12-24-7-8-26-18)22(30)27-16-5-9-31-10-6-16/h1-4,7-8,12-14,16,21H,5-6,9-11H2,(H,27,30)
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WIPO WO2021219089
n/an/a 410n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512617
PNG
(WO2021219089, INSCoV-537)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccnnc1)C(=O)CCl
Show InChI InChI=1S/C24H31ClN4O2/c1-24(2,3)18-9-11-20(12-10-18)29(21(30)15-25)22(17-13-14-26-27-16-17)23(31)28-19-7-5-4-6-8-19/h9-14,16,19,22H,4-8,15H2,1-3H3,(H,28,31)
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WIPO WO2021219089
n/an/a 420n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512726
PNG
(WO2021219089, INCoV-600A (2))
Show SMILES ClCC(=O)N(C(C(=O)NC1CCOCC1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C22H22ClN5O4/c23-9-20(29)28(18-3-1-15(2-4-18)19-12-26-14-32-19)21(16-10-24-13-25-11-16)22(30)27-17-5-7-31-8-6-17/h1-4,10-14,17,21H,5-9H2,(H,27,30)
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WIPO WO2021219089
n/an/a 430n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512779
PNG
(WO2021219089, INCoV-600K (2))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@@H](N(C(=O)CCl)c1ccc(cc1)-c1cncs1)c1cncnc1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-9-20(32)31(18-3-1-15(2-4-18)19-12-29-14-34-19)21(16-10-27-13-28-11-16)22(33)30-17-5-7-23(25,26)8-6-17/h1-4,10-14,17,21H,5-9H2,(H,30,33)/t21-/m0/s1
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WIPO WO2021219089
n/an/a 430n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512890
PNG
(WO2021219089, INSCoV-601R (1B))
Show SMILES ClCC(=O)N([C@H](C(=O)N[C@H]1CCOC1)c1cncnc1)c1ccc(cc1)-c1cncs1
Show InChI InChI=1S/C21H20ClN5O3S/c22-7-19(28)27(17-3-1-14(2-4-17)18-10-25-13-31-18)20(15-8-23-12-24-9-15)21(29)26-16-5-6-30-11-16/h1-4,8-10,12-13,16,20H,5-7,11H2,(H,26,29)/t16-,20-/m0/s1
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WIPO WO2021219089
n/an/a 440n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512455
PNG
(WO2021219089, INSCoV-501M)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCS(=O)(=O)CC1)c1cnccn1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C22H22ClN5O5S/c23-11-20(29)28(17-3-1-15(2-4-17)19-13-25-14-33-19)21(18-12-24-7-8-26-18)22(30)27-16-5-9-34(31,32)10-6-16/h1-4,7-8,12-14,16,21H,5-6,9-11H2,(H,27,30)
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WIPO WO2021219089
n/an/a 450n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512780
PNG
(WO2021219089, INSCoV-600L)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1ccncn1)c1cncnc1
Show InChI InChI=1S/C24H23ClF2N6O2/c25-11-21(34)33(19-3-1-16(2-4-19)20-7-10-28-15-31-20)22(17-12-29-14-30-13-17)23(35)32-18-5-8-24(26,27)9-6-18/h1-4,7,10,12-15,18,22H,5-6,8-9,11H2,(H,32,35)
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WIPO WO2021219089
n/an/a 450n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512758
PNG
(WO2021219089, INCoV-600C (2A))
Show SMILES ClCC(=O)N([C@@H](C(=O)N[C@@H]1CCOC1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C21H20ClN5O4/c22-7-19(28)27(17-3-1-14(2-4-17)18-10-25-13-31-18)20(15-8-23-12-24-9-15)21(29)26-16-5-6-30-11-16/h1-4,8-10,12-13,16,20H,5-7,11H2,(H,26,29)/t16-,20-/m1/s1
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WIPO WO2021219089
n/an/a 450n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512653
PNG
(WO2021219089, INSCoV-558A)
Show SMILES Fc1cccc(CCN(C(C(=O)NC2CCC(F)(F)CC2)c2cccnc2)C(=O)CCl)c1
Show InChI InChI=1S/C23H25ClF3N3O2/c24-14-20(31)30(12-8-16-3-1-5-18(25)13-16)21(17-4-2-11-28-15-17)22(32)29-19-6-9-23(26,27)10-7-19/h1-5,11,13,15,19,21H,6-10,12,14H2,(H,29,32)
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WIPO WO2021219089
n/an/a 470n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512468
PNG
(WO2021219089, INSCoV-501R)
Show SMILES ClCC(=O)N([C@H](C(=O)NC1CCN(CC1)S(=O)(=O)C1CC1)c1cnccn1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C25H27ClN6O5S/c26-13-23(33)32(19-3-1-17(2-4-19)22-15-28-16-37-22)24(21-14-27-9-10-29-21)25(34)30-18-7-11-31(12-8-18)38(35,36)20-5-6-20/h1-4,9-10,14-16,18,20,24H,5-8,11-13H2,(H,30,34)/t24-/m0/s1
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WIPO WO2021219089
n/an/a 480n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512781
PNG
(WO2021219089, INSCoV-600M)
Show SMILES CN1CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C23H25ClN6O3/c1-29-8-6-18(7-9-29)28-23(32)22(17-11-25-14-26-12-17)30(21(31)10-24)19-4-2-16(3-5-19)20-13-27-15-33-20/h2-5,11-15,18,22H,6-10H2,1H3,(H,28,32)
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WIPO WO2021219089
n/an/a 500n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512763
PNG
(WO2021219089, INCoV-600D)
Show SMILES FC1(F)CC(C1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C21H18ClF2N5O3/c22-7-18(30)29(16-3-1-13(2-4-16)17-10-27-12-32-17)19(14-8-25-11-26-9-14)20(31)28-15-5-21(23,24)6-15/h1-4,8-12,15,19H,5-7H2,(H,28,31)
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WIPO WO2021219089
n/an/a 520n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512838
PNG
(WO2021219089, INSCoV-601J (2))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@@H](N(C(=O)CCl)c1ccc(cc1)-c1ccns1)c1ccnnc1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-13-20(32)31(18-3-1-15(2-4-18)19-8-12-29-34-19)21(16-7-11-27-28-14-16)22(33)30-17-5-9-23(25,26)10-6-17/h1-4,7-8,11-12,14,17,21H,5-6,9-10,13H2,(H,30,33)/t21-/m0/s1
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WIPO WO2021219089
n/an/a 530n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512765
PNG
(WO2021219089, INCoV-600F)
Show SMILES FC1(F)CC2(CC(C2)NC(=O)C(N(C(=O)CCl)c2ccc(cc2)-c2cnco2)c2cncnc2)C1
Show InChI InChI=1S/C24H22ClF2N5O3/c25-7-20(33)32(18-3-1-15(2-4-18)19-10-30-14-35-19)21(16-8-28-13-29-9-16)22(34)31-17-5-23(6-17)11-24(26,27)12-23/h1-4,8-10,13-14,17,21H,5-7,11-12H2,(H,31,34)
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WIPO WO2021219089
n/an/a 530n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512774
PNG
(WO2021219089, INCoV-600J (1) | WO2021219089, INCoV...)
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@H](N(C(=O)CCl)c1ccc(cc1)-c1ccno1)c1cncnc1
Show InChI InChI=1S/C23H22ClF2N5O3/c24-11-20(32)31(18-3-1-15(2-4-18)19-7-10-29-34-19)21(16-12-27-14-28-13-16)22(33)30-17-5-8-23(25,26)9-6-17/h1-4,7,10,12-14,17,21H,5-6,8-9,11H2,(H,30,33)/t21-/m1/s1
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WIPO WO2021219089
n/an/a 530n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512719
PNG
(WO2021219089, INCoV-600A)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCOCC1)c1ccnnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C22H22ClN5O4/c23-11-20(29)28(18-3-1-15(2-4-18)19-13-24-14-32-19)21(16-5-8-25-26-12-16)22(30)27-17-6-9-31-10-7-17/h1-5,8,12-14,17,21H,6-7,9-11H2,(H,27,30)
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WIPO WO2021219089
n/an/a 540n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512463
PNG
(WO2021219089, INSCoV-501P)
Show SMILES ClCC(=O)N([C@H](C(=O)NCCc1ccccc1)c1cnccn1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C25H22ClN5O3/c26-14-23(32)31(20-8-6-19(7-9-20)22-16-28-17-34-22)24(21-15-27-12-13-29-21)25(33)30-11-10-18-4-2-1-3-5-18/h1-9,12-13,15-17,24H,10-11,14H2,(H,30,33)/t24-/m0/s1
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WIPO WO2021219089
n/an/a 560n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512471
PNG
(WO2021219089, INSCoV-501R (1))
Show SMILES CCS(=O)(=O)N1CCC(CC1)NC(=O)[C@@H](N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cnccn1
Show InChI InChI=1S/C24H27ClN6O5S/c1-2-37(34,35)30-11-7-18(8-12-30)29-24(33)23(20-14-26-9-10-28-20)31(22(32)13-25)19-5-3-17(4-6-19)21-15-27-16-36-21/h3-6,9-10,14-16,18,23H,2,7-8,11-13H2,1H3,(H,29,33)/t23-/m0/s1
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WIPO WO2021219089
n/an/a 570n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512764
PNG
(WO2021219089, INCoV-600E)
Show SMILES CC1(COC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C21H20ClN5O4/c1-21(10-30-11-21)26-20(29)19(15-7-23-12-24-8-15)27(18(28)6-22)16-4-2-14(3-5-16)17-9-25-13-31-17/h2-5,7-9,12-13,19H,6,10-11H2,1H3,(H,26,29)
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WIPO WO2021219089
n/an/a 570n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512428
PNG
(WO2021219089, INSCoV-501B)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCS(=O)(=O)CC1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C22H22ClN5O5S/c23-9-20(29)28(18-3-1-15(2-4-18)19-12-26-14-33-19)21(16-10-24-13-25-11-16)22(30)27-17-5-7-34(31,32)8-6-17/h1-4,10-14,17,21H,5-9H2,(H,27,30)
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WIPO WO2021219089
n/an/a 600n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512438
PNG
(WO2021219089, INSCoV-501E)
Show SMILES ClCC(=O)N(C(C(=O)NCCc1ccccc1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C25H22ClN5O3/c26-12-23(32)31(21-8-6-19(7-9-21)22-15-29-17-34-22)24(20-13-27-16-28-14-20)25(33)30-11-10-18-4-2-1-3-5-18/h1-9,13-17,24H,10-12H2,(H,30,33)
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WIPO WO2021219089
n/an/a 600n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512607
PNG
(WO2021219089, INSCoV-536)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cncnc1)C(=O)CCl
Show InChI InChI=1S/C24H31ClN4O2/c1-24(2,3)18-9-11-20(12-10-18)29(21(30)13-25)22(17-14-26-16-27-15-17)23(31)28-19-7-5-4-6-8-19/h9-12,14-16,19,22H,4-8,13H2,1-3H3,(H,28,31)
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WIPO WO2021219089
n/an/a 620n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512445
PNG
(WO2021219089, INSCoV-501H (1))
Show SMILES CCS(=O)(=O)N1CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C24H27ClN6O5S/c1-2-37(34,35)30-9-7-19(8-10-30)29-24(33)23(18-12-26-15-27-13-18)31(22(32)11-25)20-5-3-17(4-6-20)21-14-28-16-36-21/h3-6,12-16,19,23H,2,7-11H2,1H3,(H,29,33)
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WIPO WO2021219089
n/an/a 630n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512768
PNG
(WO2021219089, INCoV-600H)
Show SMILES ClCC(=O)N(C(C(=O)NC1CC2(C1)CS(=O)(=O)C2)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C23H22ClN5O5S/c24-7-20(30)29(18-3-1-15(2-4-18)19-10-27-14-34-19)21(16-8-25-13-26-9-16)22(31)28-17-5-23(6-17)11-35(32,33)12-23/h1-4,8-10,13-14,17,21H,5-7,11-12H2,(H,28,31)
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WIPO WO2021219089
n/an/a 660n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512539
PNG
(WO2021219089, INSCoV-503E)
Show SMILES ClCC(=O)N(CCc1cccc(Cl)c1)C(C(=O)NC1CCCCC1)c1cccnc1
Show InChI InChI=1S/C23H27Cl2N3O2/c24-15-21(29)28(13-11-17-6-4-8-19(25)14-17)22(18-7-5-12-26-16-18)23(30)27-20-9-2-1-3-10-20/h4-8,12,14,16,20,22H,1-3,9-11,13,15H2,(H,27,30)
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WIPO WO2021219089
n/an/a 660n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512418
PNG
(WO2021219089, INSCoV-501)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C24H25ClN4O3/c25-13-22(30)29(20-10-8-17(9-11-20)21-15-27-16-32-21)23(18-5-4-12-26-14-18)24(31)28-19-6-2-1-3-7-19/h4-5,8-12,14-16,19,23H,1-3,6-7,13H2,(H,28,31)
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WIPO WO2021219089
n/an/a 680n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512444
PNG
(WO2021219089, INSCoV-501H)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCN(CC1)S(=O)(=O)C1CC1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C25H27ClN6O5S/c26-11-23(33)32(20-3-1-17(2-4-20)22-14-29-16-37-22)24(18-12-27-15-28-13-18)25(34)30-19-7-9-31(10-8-19)38(35,36)21-5-6-21/h1-4,12-16,19,21,24H,5-11H2,(H,30,34)
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WIPO WO2021219089
n/an/a 720n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512644
PNG
(WO2021219089, INSCoV-539)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cncc(c1)C#N)C(=O)CCl
Show InChI InChI=1S/C26H31ClN4O2/c1-26(2,3)20-9-11-22(12-10-20)31(23(32)14-27)24(19-13-18(15-28)16-29-17-19)25(33)30-21-7-5-4-6-8-21/h9-13,16-17,21,24H,4-8,14H2,1-3H3,(H,30,33)
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WIPO WO2021219089
n/an/a 800n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512724
PNG
(WO2021219089, INCoV-600A (1))
Show SMILES ClCC(=O)N(C(C(=O)NC1CCOCC1)c1cccnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C23H23ClN4O4/c24-12-21(29)28(19-5-3-16(4-6-19)20-14-26-15-32-20)22(17-2-1-9-25-13-17)23(30)27-18-7-10-31-11-8-18/h1-6,9,13-15,18,22H,7-8,10-12H2,(H,27,30)
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n/an/a 840n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512639
PNG
(WO2021219089, INSCoV-538A)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(=O)CCl)C(C)(C(=O)NC1CCCCC1)c1cccnc1
Show InChI InChI=1S/C26H34ClN3O2/c1-25(2,3)19-12-14-22(15-13-19)30(23(31)17-27)26(4,20-9-8-16-28-18-20)24(32)29-21-10-6-5-7-11-21/h8-9,12-16,18,21H,5-7,10-11,17H2,1-4H3,(H,29,32)
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WIPO WO2021219089
n/an/a 900n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512540
PNG
(WO2021219089, INSCoV-503F)
Show SMILES ClCC(=O)N(CCc1ccc(Cl)cc1)C(C(=O)NC1CCCCC1)c1cccnc1
Show InChI InChI=1S/C23H27Cl2N3O2/c24-15-21(29)28(14-12-17-8-10-19(25)11-9-17)22(18-5-4-13-26-16-18)23(30)27-20-6-2-1-3-7-20/h4-5,8-11,13,16,20,22H,1-3,6-7,12,14-15H2,(H,27,30)
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WIPO WO2021219089
n/an/a 940n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512521
PNG
(WO2021219089, INSCoV-503)
Show SMILES ClCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCCC1)c1cccnc1
Show InChI InChI=1S/C23H28ClN3O2/c24-16-21(28)27(15-13-18-8-3-1-4-9-18)22(19-10-7-14-25-17-19)23(29)26-20-11-5-2-6-12-20/h1,3-4,7-10,14,17,20,22H,2,5-6,11-13,15-16H2,(H,26,29)
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WIPO WO2021219089
n/an/a 980n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512595
PNG
(WO2021219089, INSCoV-523)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C25H31ClN4O2/c26-17-23(31)30(22-12-10-21(11-13-22)29-15-4-5-16-29)24(19-7-6-14-27-18-19)25(32)28-20-8-2-1-3-9-20/h6-7,10-14,18,20,24H,1-5,8-9,15-17H2,(H,28,32)
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WIPO WO2021219089
n/an/a 980n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512892
PNG
(WO2021219089, INSCoV-601S (1B))
Show SMILES FC1(F)CC[C@@H](C1)NC(=O)[C@@H](N(C(=O)CCl)c1ccc(cc1)-c1cncs1)c1cncnc1
Show InChI InChI=1S/C22H20ClF2N5O2S/c23-8-19(31)30(17-3-1-14(2-4-17)18-11-28-13-33-18)20(15-9-26-12-27-10-15)21(32)29-16-5-6-22(24,25)7-16/h1-4,9-13,16,20H,5-8H2,(H,29,32)/t16-,20-/m0/s1
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WIPO WO2021219089
n/an/a 980n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512766
PNG
(WO2021219089, INCoV-600G)
Show SMILES ClCC(=O)N(C(C(=O)NC1CC2(COC2)C1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C23H22ClN5O4/c24-7-20(30)29(18-3-1-15(2-4-18)19-10-27-14-33-19)21(16-8-25-13-26-9-16)22(31)28-17-5-23(6-17)11-32-12-23/h1-4,8-10,13-14,17,21H,5-7,11-12H2,(H,28,31)
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WIPO WO2021219089
n/an/a 990n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512532
PNG
(WO2021219089, INSCoV-503B)
Show SMILES Cc1cccc(CCN(C(C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)c1
Show InChI InChI=1S/C24H30ClN3O2/c1-18-7-5-8-19(15-18)12-14-28(22(29)16-25)23(20-9-6-13-26-17-20)24(30)27-21-10-3-2-4-11-21/h5-9,13,15,17,21,23H,2-4,10-12,14,16H2,1H3,(H,27,30)
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WIPO WO2021219089
n/an/a 1.00E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512603
PNG
(WO2021219089, INSCoV-535)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cncc(O)c1)C(=O)CCl
Show InChI InChI=1S/C25H32ClN3O3/c1-25(2,3)18-9-11-20(12-10-18)29(22(31)14-26)23(17-13-21(30)16-27-15-17)24(32)28-19-7-5-4-6-8-19/h9-13,15-16,19,23,30H,4-8,14H2,1-3H3,(H,28,32)
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WIPO WO2021219089
n/an/a 1.04E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512785
PNG
(WO2021219089, INSCoV-600N)
Show SMILES Cc1cc(F)cc(F)c1NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C24H18ClF2N5O3/c1-14-6-17(26)7-19(27)22(14)31-24(34)23(16-9-28-12-29-10-16)32(21(33)8-25)18-4-2-15(3-5-18)20-11-30-13-35-20/h2-7,9-13,23H,8H2,1H3,(H,31,34)
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WIPO WO2021219089
n/an/a 1.06E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512451
PNG
(WO2021219089, INSCoV-501K (2))
Show SMILES ClCC(=O)N([C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1cncnc1)c1ccc(cc1)-c1cnco1
Show InChI InChI=1S/C30H29ClN6O5/c31-15-27(38)37(24-8-6-22(7-9-24)26-18-34-20-42-26)28(23-16-32-19-33-17-23)29(39)35-25(14-21-4-2-1-3-5-21)30(40)36-10-12-41-13-11-36/h1-9,16-20,25,28H,10-15H2,(H,35,39)/t25-,28-/m0/s1
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WIPO WO2021219089
n/an/a 1.07E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512658
PNG
(WO2021219089, INSCoV-559)
Show SMILES Fc1ccc(CCN(C(C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)cc1
Show InChI InChI=1S/C23H27ClFN3O2/c24-15-21(29)28(14-12-17-8-10-19(25)11-9-17)22(18-5-4-13-26-16-18)23(30)27-20-6-2-1-3-7-20/h4-5,8-11,13,16,20,22H,1-3,6-7,12,14-15H2,(H,27,30)
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WIPO WO2021219089
n/an/a 1.08E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512792
PNG
(WO2021219089, INSCoV-600O)
Show SMILES CNC(=O)c1cc(C)c(NC(=O)C(N(C(=O)CCl)c2ccc(cc2)-c2cnco2)c2cncnc2)c(Cl)c1
Show InChI InChI=1S/C26H22Cl2N6O4/c1-15-7-17(25(36)29-2)8-20(28)23(15)33-26(37)24(18-10-30-13-31-11-18)34(22(35)9-27)19-5-3-16(4-6-19)21-12-32-14-38-21/h3-8,10-14,24H,9H2,1-2H3,(H,29,36)(H,33,37)
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WIPO WO2021219089
n/an/a 1.09E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512407
PNG
(WO2021219089, INSCoV-110A)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C25H32ClN3O2/c1-25(2,3)19-11-13-21(14-12-19)29(22(30)16-26)23(18-8-7-15-27-17-18)24(31)28-20-9-5-4-6-10-20/h7-8,11-15,17,20,23H,4-6,9-10,16H2,1-3H3,(H,28,31)
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WIPO WO2021219089
n/an/a 1.14E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512849
PNG
(WO2021219089, INSCoV-601M)
Show SMILES CC(=O)c1ccc(NC(=O)[C@H](N(C(=O)CCl)c2ccc(cc2)-c2ccns2)c2cnccn2)[nH]1
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WIPO WO2021219089
n/an/a 1.15E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512813
PNG
(WO2021219089, INSCoV-601CA)
Show SMILES CN(C)C(=O)C1CCCC(C1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C26H29ClN6O4/c1-32(2)26(36)18-4-3-5-20(10-18)31-25(35)24(19-12-28-15-29-13-19)33(23(34)11-27)21-8-6-17(7-9-21)22-14-30-16-37-22/h6-9,12-16,18,20,24H,3-5,10-11H2,1-2H3,(H,31,35)
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WIPO WO2021219089
n/an/a 1.15E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512770
PNG
(WO2021219089, INCoV-600I)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnc[nH]1)c1cncnc1
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WIPO WO2021219089
n/an/a 1.18E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512559
PNG
(WO2021219089, INSCoV-516)
Show SMILES ClCC(=O)N(CCc1c[nH]c2ccncc12)C(C(=O)NC1CCCCC1)c1cccnc1
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WIPO WO2021219089
n/an/a 1.18E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512708
PNG
(WO2021219089, INSCoV-574)
Show SMILES FC(F)(F)c1cccc(CN(C(C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)c1
Show InChI InChI=1S/C23H25ClF3N3O2/c24-13-20(31)30(15-16-6-4-8-18(12-16)23(25,26)27)21(17-7-5-11-28-14-17)22(32)29-19-9-2-1-3-10-19/h4-8,11-12,14,19,21H,1-3,9-10,13,15H2,(H,29,32)
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WIPO WO2021219089
n/an/a 1.27E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512602
PNG
(WO2021219089, INSCoV-534)
Show SMILES CC(C)(C)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)C(C)(C)C)c1cccnc1
Show InChI InChI=1S/C23H30ClN3O2/c1-22(2,3)17-9-11-18(12-10-17)27(19(28)14-24)20(16-8-7-13-25-15-16)21(29)26-23(4,5)6/h7-13,15,20H,14H2,1-6H3,(H,26,29)
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WIPO WO2021219089
n/an/a 1.28E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512534
PNG
(WO2021219089, INSCoV-503C)
Show SMILES Cc1ccc(CCN(C(C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)cc1
Show InChI InChI=1S/C24H30ClN3O2/c1-18-9-11-19(12-10-18)13-15-28(22(29)16-25)23(20-6-5-14-26-17-20)24(30)27-21-7-3-2-4-8-21/h5-6,9-12,14,17,21,23H,2-4,7-8,13,15-16H2,1H3,(H,27,30)
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WIPO WO2021219089
n/an/a 1.38E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512811
PNG
(WO2021219089, INSCoV-600X)
Show SMILES Cc1cc(cc(F)c1NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1)-c1cccnc1
Show InChI InChI=1S/C29H22ClFN6O3/c1-18-9-21(20-3-2-8-32-12-20)10-24(31)27(18)36-29(39)28(22-13-33-16-34-14-22)37(26(38)11-30)23-6-4-19(5-7-23)25-15-35-17-40-25/h2-10,12-17,28H,11H2,1H3,(H,36,39)
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WIPO WO2021219089
n/an/a 1.39E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512686
PNG
(WO2021219089, INSCoV-537 (2))
Show SMILES CC(C)(C)c1ccc(cc1)N([C@H](C(=O)NC1CCCCC1)c1ccnnc1)C(=O)CCl
Show InChI InChI=1S/C24H31ClN4O2/c1-24(2,3)18-9-11-20(12-10-18)29(21(30)15-25)22(17-13-14-26-27-16-17)23(31)28-19-7-5-4-6-8-19/h9-14,16,19,22H,4-8,15H2,1-3H3,(H,28,31)/t22-/m0/s1
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WIPO WO2021219089
n/an/a 1.44E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512457
PNG
(WO2021219089, INSCoV-501O)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CNC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cnccn1
Show InChI InChI=1S/C25H22ClN5O5S/c1-17-2-8-20(9-3-17)37(34,35)16-30-25(33)24(21-13-27-10-11-29-21)31(23(32)12-26)19-6-4-18(5-7-19)22-14-28-15-36-22/h2-11,13-15,24H,12,16H2,1H3,(H,30,33)
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WIPO WO2021219089
n/an/a 1.50E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512701
PNG
(WO2021219089, INSCoV-614 (2B))
Show SMILES F[C@@H](Cl)C(=O)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(cc1)-c1cncs1
Show InChI InChI=1S/C23H21ClF3N5O2S/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-11-30-13-35-18)19(15-9-28-12-29-10-15)21(33)31-16-5-7-23(26,27)8-6-16/h1-4,9-13,16,19-20H,5-8H2,(H,31,33)/t19-,20-/m1/s1
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WIPO WO2021219089
n/an/a 1.70E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512572
PNG
(WO2021219089, INSCoV-517 (2))
Show SMILES FC(F)(F)Oc1ccc(N([C@H](C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)c(c1)C#N
Show InChI InChI=1S/C23H22ClF3N4O3/c24-12-20(32)31(19-9-8-18(11-16(19)13-28)34-23(25,26)27)21(15-5-4-10-29-14-15)22(33)30-17-6-2-1-3-7-17/h4-5,8-11,14,17,21H,1-3,6-7,12H2,(H,30,33)/t21-/m0/s1
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WIPO WO2021219089
n/an/a 1.94E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512409
PNG
(WO2021219089, INSCoV-110A (1))
Show SMILES CC(C)(C)c1ccc(cc1)N([C@@H](C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C25H32ClN3O2/c1-25(2,3)19-11-13-21(14-12-19)29(22(30)16-26)23(18-8-7-15-27-17-18)24(31)28-20-9-5-4-6-10-20/h7-8,11-15,17,20,23H,4-6,9-10,16H2,1-3H3,(H,28,31)/t23-/m1/s1
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WIPO WO2021219089
n/an/a 1.98E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512812
PNG
(WO2021219089, INSCoV-600Y)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)C1CO1)c1ccc(cc1)-c1ccno1)c1cncnc1
Show InChI InChI=1S/C24H23F2N5O4/c25-24(26)8-5-17(6-9-24)30-22(32)21(16-11-27-14-28-12-16)31(23(33)20-13-34-20)18-3-1-15(2-4-18)19-7-10-29-35-19/h1-4,7,10-12,14,17,20-21H,5-6,8-9,13H2,(H,30,32)
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WIPO WO2021219089
n/an/a 1.99E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512552
PNG
(WO2021219089, INSCoV-507)
Show SMILES Fc1cc(Br)ccc1N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C21H22BrClFN3O2/c22-15-8-9-18(17(24)11-15)27(19(28)12-23)20(14-5-4-10-25-13-14)21(29)26-16-6-2-1-3-7-16/h4-5,8-11,13,16,20H,1-3,6-7,12H2,(H,26,29)
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WIPO WO2021219089
n/an/a 2.13E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512411
PNG
(WO2021219089, INSCoV-110A (2))
Show SMILES CC(C)(C)c1ccc(cc1)N([C@H](C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C25H32ClN3O2/c1-25(2,3)19-11-13-21(14-12-19)29(22(30)16-26)23(18-8-7-15-27-17-18)24(31)28-20-9-5-4-6-10-20/h7-8,11-15,17,20,23H,4-6,9-10,16H2,1-3H3,(H,28,31)/t23-/m0/s1
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WIPO WO2021219089
n/an/a 2.15E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512798
PNG
(WO2021219089, INSCoV-600Q (2))
Show SMILES Fc1cccc(CCN([C@@H](C(=O)NC2CCC(F)(F)CC2)c2cncnc2)C(=O)C2CO2)c1
Show InChI InChI=1S/C23H25F3N4O3/c24-17-3-1-2-15(10-17)6-9-30(22(32)19-13-33-19)20(16-11-27-14-28-12-16)21(31)29-18-4-7-23(25,26)8-5-18/h1-3,10-12,14,18-20H,4-9,13H2,(H,29,31)/t19?,20-/m1/s1
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WIPO WO2021219089
n/an/a 2.22E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512544
PNG
(WO2021219089, INSCoV-503G)
Show SMILES Fc1ccccc1CCN(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C23H27ClFN3O2/c24-15-21(29)28(14-12-17-7-4-5-11-20(17)25)22(18-8-6-13-26-16-18)23(30)27-19-9-2-1-3-10-19/h4-8,11,13,16,19,22H,1-3,9-10,12,14-15H2,(H,27,30)
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WIPO WO2021219089
n/an/a 2.30E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512647
PNG
(WO2021219089, INSCoV-549)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1c[nH]c2ncccc12)C(=O)CCl
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WIPO WO2021219089
n/an/a 2.49E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512437
PNG
(WO2021219089, INSCoV-501D)
Show SMILES Cc1ccc(cc1)S(=O)(=O)CNC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C25H22ClN5O5S/c1-17-2-8-21(9-3-17)37(34,35)16-30-25(33)24(19-11-27-14-28-12-19)31(23(32)10-26)20-6-4-18(5-7-20)22-13-29-15-36-22/h2-9,11-15,24H,10,16H2,1H3,(H,30,33)
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WIPO WO2021219089
n/an/a 2.51E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512522
PNG
(WO2021219089, INSCoV-503A)
Show SMILES Cc1ccccc1CCN(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C24H30ClN3O2/c1-18-8-5-6-9-19(18)13-15-28(22(29)16-25)23(20-10-7-14-26-17-20)24(30)27-21-11-3-2-4-12-21/h5-10,14,17,21,23H,2-4,11-13,15-16H2,1H3,(H,27,30)
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WIPO WO2021219089
n/an/a 2.63E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512538
PNG
(WO2021219089, INSCoV-503D)
Show SMILES ClCC(=O)N(CCc1ccccc1Cl)C(C(=O)NC1CCCCC1)c1cccnc1
Show InChI InChI=1S/C23H27Cl2N3O2/c24-15-21(29)28(14-12-17-7-4-5-11-20(17)25)22(18-8-6-13-26-16-18)23(30)27-19-9-2-1-3-10-19/h4-8,11,13,16,19,22H,1-3,9-10,12,14-15H2,(H,27,30)
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WIPO WO2021219089
n/an/a 2.65E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512809
PNG
(WO2021219089, INSCoV-600R (2A))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@@H](N(C(=O)[C@H]1CO1)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C24H23F2N5O4/c25-24(26)7-5-17(6-8-24)30-22(32)21(16-9-27-13-28-10-16)31(23(33)20-12-34-20)18-3-1-15(2-4-18)19-11-29-14-35-19/h1-4,9-11,13-14,17,20-21H,5-8,12H2,(H,30,32)/t20-,21+/m1/s1
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WIPO WO2021219089
n/an/a 2.93E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512868
PNG
(WO2021219089, INSCoV-601O)
Show SMILES CC(C)c1cc(F)c(NC(=O)[C@H](N(C(=O)CCl)c2ccc(cc2)-c2ccns2)c2cncnc2)c(F)c1
Show InChI InChI=1S/C26H22ClF2N5O2S/c1-15(2)17-9-20(28)24(21(29)10-17)33-26(36)25(18-12-30-14-31-13-18)34(23(35)11-27)19-5-3-16(4-6-19)22-7-8-32-37-22/h3-10,12-15,25H,11H2,1-2H3,(H,33,36)/t25-/m1/s1
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WIPO WO2021219089
n/an/a 3.06E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512578
PNG
(WO2021219089, INSCoV-517A (1B))
Show SMILES FC(F)(F)Oc1ccc(N([C@H](C(=O)NC2CCC(F)(F)CC2)c2cncnc2)C(=O)CCl)c(c1)C#N
Show InChI InChI=1S/C22H19ClF5N5O3/c23-8-18(34)33(17-2-1-16(7-13(17)9-29)36-22(26,27)28)19(14-10-30-12-31-11-14)20(35)32-15-3-5-21(24,25)6-4-15/h1-2,7,10-12,15,19H,3-6,8H2,(H,32,35)/t19-/m0/s1
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WIPO WO2021219089
n/an/a 3.25E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512867
PNG
(WO2021219089, INSCoV-601N (2))
Show SMILES C[C@](N(C(=O)CCl)c1ccc(cc1)-c1ccns1)(C(=O)NC1CCC(F)(F)CC1)c1cnccn1
Show InChI InChI=1S/C24H24ClF2N5O2S/c1-23(20-15-28-12-13-29-20,22(34)31-17-6-9-24(26,27)10-7-17)32(21(33)14-25)18-4-2-16(3-5-18)19-8-11-30-35-19/h2-5,8,11-13,15,17H,6-7,9-10,14H2,1H3,(H,31,34)/t23-/m1/s1
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WIPO WO2021219089
n/an/a 3.49E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512663
PNG
(WO2021219089, INSCoV-560A)
Show SMILES COc1ccccc1CCN(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C24H30ClN3O3/c1-31-21-12-6-5-8-18(21)13-15-28(22(29)16-25)23(19-9-7-14-26-17-19)24(30)27-20-10-3-2-4-11-20/h5-9,12,14,17,20,23H,2-4,10-11,13,15-16H2,1H3,(H,27,30)
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WIPO WO2021219089
n/an/a 4.34E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512718
PNG
(WO2021219089, INSCoV-576)
Show SMILES ClCC(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1ccc2ccoc2c1
Show InChI InChI=1S/C23H24ClN3O3/c24-14-21(28)27(19-9-8-16-10-12-30-20(16)13-19)22(17-5-4-11-25-15-17)23(29)26-18-6-2-1-3-7-18/h4-5,8-13,15,18,22H,1-3,6-7,14H2,(H,26,29)
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WIPO WO2021219089
n/an/a 4.67E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512481
PNG
(WO2021219089, INSCoV-502)
Show SMILES Cc1ccc(CN(C(C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)cc1
Show InChI InChI=1S/C23H28ClN3O2/c1-17-9-11-18(12-10-17)16-27(21(28)14-24)22(19-6-5-13-25-15-19)23(29)26-20-7-3-2-4-8-20/h5-6,9-13,15,20,22H,2-4,7-8,14,16H2,1H3,(H,26,29)
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WIPO WO2021219089
n/an/a 4.82E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512710
PNG
(WO2021219089, INSCoV-574A)
Show SMILES FC(F)(F)c1ccccc1CN(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C23H25ClF3N3O2/c24-13-20(31)30(15-17-7-4-5-11-19(17)23(25,26)27)21(16-8-6-12-28-14-16)22(32)29-18-9-2-1-3-10-18/h4-8,11-12,14,18,21H,1-3,9-10,13,15H2,(H,29,32)
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WIPO WO2021219089
n/an/a 4.97E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512703
PNG
(WO2021219089, INSCoV-614A (1B) | WO2021219089, INS...)
Show SMILES F[C@@H](Cl)C(=O)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(cc1)-c1ccno1
Show InChI InChI=1S/C23H21ClF3N5O3/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-7-10-30-35-18)19(15-11-28-13-29-12-15)21(33)31-16-5-8-23(26,27)9-6-16/h1-4,7,10-13,16,19-20H,5-6,8-9H2,(H,31,33)/t19-,20-/m1/s1
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WIPO WO2021219089
n/an/a 5.05E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512675
PNG
(WO2021219089, INSCoV-571)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)C#C
Show InChI InChI=1S/C26H31N3O2/c1-5-23(30)29(22-15-13-20(14-16-22)26(2,3)4)24(19-10-9-17-27-18-19)25(31)28-21-11-7-6-8-12-21/h1,9-10,13-18,21,24H,6-8,11-12H2,2-4H3,(H,28,31)
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WIPO WO2021219089
n/an/a 6.28E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512808
PNG
(WO2021219089, INSCoV-600R (2))
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)[C@H]1CO1)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C24H23F2N5O4/c25-24(26)7-5-17(6-8-24)30-22(32)21(16-9-27-13-28-10-16)31(23(33)20-12-34-20)18-3-1-15(2-4-18)19-11-29-14-35-19/h1-4,9-11,13-14,17,20-21H,5-8,12H2,(H,30,32)/t20-,21?/m1/s1
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WIPO WO2021219089
n/an/a 6.45E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512704
PNG
(WO2021219089, INSCoV-614A (1A) | WO2021219089, INS...)
Show SMILES F[C@H](Cl)C(=O)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(cc1)-c1ccno1
Show InChI InChI=1S/C23H21ClF3N5O3/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-7-10-30-35-18)19(15-11-28-13-29-12-15)21(33)31-16-5-8-23(26,27)9-6-16/h1-4,7,10-13,16,19-20H,5-6,8-9H2,(H,31,33)/t19-,20+/m1/s1
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WIPO WO2021219089
n/an/a 6.74E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512901
PNG
(WO2021219089, INSCoV-614 (2A))
Show SMILES F[C@H](Cl)C(=O)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(cc1)-c1cncs1
Show InChI InChI=1S/C23H21ClF3N5O2S/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-11-30-13-35-18)19(15-9-28-12-29-10-15)21(33)31-16-5-7-23(26,27)8-6-16/h1-4,9-13,16,19-20H,5-8H2,(H,31,33)/t19-,20+/m1/s1
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WIPO WO2021219089
n/an/a 6.94E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512793
PNG
(WO2021219089, INSCoV-600Q)
Show SMILES Fc1cccc(CCN(C(C(=O)NC2CCC(F)(F)CC2)c2cncnc2)C(=O)C2CO2)c1
Show InChI InChI=1S/C23H25F3N4O3/c24-17-3-1-2-15(10-17)6-9-30(22(32)19-13-33-19)20(16-11-27-14-28-12-16)21(31)29-18-4-7-23(25,26)8-5-18/h1-3,10-12,14,18-20H,4-9,13H2,(H,29,31)
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WIPO WO2021219089
n/an/a 6.98E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512706
PNG
(WO2021219089, INSCoV-616)
Show SMILES F[C@H](Cl)C(=O)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(cc1)C1CN=CS1
Show InChI InChI=1S/C23H23ClF3N5O2S/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-11-30-13-35-18)19(15-9-28-12-29-10-15)21(33)31-16-5-7-23(26,27)8-6-16/h1-4,9-10,12-13,16,18-20H,5-8,11H2,(H,31,33)/t18?,19-,20+/m1/s1
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WIPO WO2021219089
n/an/a 8.36E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512551
PNG
(WO2021219089, INSCoV-505)
Show SMILES COc1ccccc1CN(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C23H28ClN3O3/c1-30-20-12-6-5-8-18(20)16-27(21(28)14-24)22(17-9-7-13-25-15-17)23(29)26-19-10-3-2-4-11-19/h5-9,12-13,15,19,22H,2-4,10-11,14,16H2,1H3,(H,26,29)
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WIPO WO2021219089
n/an/a 8.65E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512704
PNG
(WO2021219089, INSCoV-614A (1A) | WO2021219089, INS...)
Show SMILES F[C@H](Cl)C(=O)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(cc1)-c1ccno1
Show InChI InChI=1S/C23H21ClF3N5O3/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-7-10-30-35-18)19(15-11-28-13-29-12-15)21(33)31-16-5-8-23(26,27)9-6-16/h1-4,7,10-13,16,19-20H,5-6,8-9H2,(H,31,33)/t19-,20+/m1/s1
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WIPO WO2021219089
n/an/a 9.11E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512642
PNG
(WO2021219089, INSCoV-538A (2))
Show SMILES CC(C)(C)c1ccc(cc1)N(C(=O)CCl)[C@](C)(C(=O)NC1CCCCC1)c1cccnc1
Show InChI InChI=1S/C26H34ClN3O2/c1-25(2,3)19-12-14-22(15-13-19)30(23(31)17-27)26(4,20-9-8-16-28-18-20)24(32)29-21-10-6-5-7-11-21/h8-9,12-16,18,21H,5-7,10-11,17H2,1-4H3,(H,29,32)/t26-/m0/s1
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WIPO WO2021219089
n/an/a 9.60E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512430
PNG
(WO2021219089, INSCoV-501C)
Show SMILES CC(NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cnco1)c1cncnc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C26H24ClN5O5S/c1-17-3-9-22(10-4-17)38(35,36)18(2)31-26(34)25(20-12-28-15-29-13-20)32(24(33)11-27)21-7-5-19(6-8-21)23-14-30-16-37-23/h3-10,12-16,18,25H,11H2,1-2H3,(H,31,34)
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WIPO WO2021219089
n/an/a 9.82E+3n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512582
PNG
(WO2021219089, INSCoV-517C (1))
Show SMILES F[C@H](Cl)C(=O)N([C@@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(OC(F)(F)F)cc1C#N
Show InChI InChI=1S/C22H18ClF6N5O3/c23-18(24)20(36)34(16-2-1-15(7-12(16)8-30)37-22(27,28)29)17(13-9-31-11-32-10-13)19(35)33-14-3-5-21(25,26)6-4-14/h1-2,7,9-11,14,17-18H,3-6H2,(H,33,35)/t17-,18+/m1/s1
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WIPO WO2021219089
n/an/a 1.12E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512585
PNG
(WO2021219089, INSCoV-517C (2))
Show SMILES F[C@@H](Cl)C(=O)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(OC(F)(F)F)cc1C#N
Show InChI InChI=1S/C22H18ClF6N5O3/c23-18(24)20(36)34(16-2-1-15(7-12(16)8-30)37-22(27,28)29)17(13-9-31-11-32-10-13)19(35)33-14-3-5-21(25,26)6-4-14/h1-2,7,9-11,14,17-18H,3-6H2,(H,33,35)/t17-,18+/m0/s1
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WIPO WO2021219089
n/an/a 1.14E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512909
PNG
(WO2021219089, INSCoV-615)
Show SMILES FCC(=O)N(C(C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(cc1)-c1cncs1
Show InChI InChI=1S/C23H22F3N5O2S/c24-9-20(32)31(18-3-1-15(2-4-18)19-12-29-14-34-19)21(16-10-27-13-28-11-16)22(33)30-17-5-7-23(25,26)8-6-17/h1-4,10-14,17,21H,5-9H2,(H,30,33)
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WIPO WO2021219089
n/an/a 1.14E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512597
PNG
(WO2021219089, INSCoV-531)
Show SMILES CC(NC(=O)C(N(C(=O)CCl)c1ccc(cc1)C(C)(C)C)c1cccnc1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C28H32ClN3O4S/c1-19-8-14-24(15-9-19)37(35,36)20(2)31-27(34)26(21-7-6-16-30-18-21)32(25(33)17-29)23-12-10-22(11-13-23)28(3,4)5/h6-16,18,20,26H,17H2,1-5H3,(H,31,34)
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WIPO WO2021219089
n/an/a 1.27E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512799
PNG
(WO2021219089, INSCoV-600R)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)C1CO1)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C24H23F2N5O4/c25-24(26)7-5-17(6-8-24)30-22(32)21(16-9-27-13-28-10-16)31(23(33)20-12-34-20)18-3-1-15(2-4-18)19-11-29-14-35-19/h1-4,9-11,13-14,17,20-21H,5-8,12H2,(H,30,32)
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WIPO WO2021219089
n/an/a 1.28E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512871
PNG
(WO2021219089, INSCoV-601P (1B))
Show SMILES C[C@](N(C(=O)CCl)c1ccc(cc1)-c1ccno1)(C(=O)NC1CCC(F)(F)CC1)c1cncnc1
Show InChI InChI=1S/C24H24ClF2N5O3/c1-23(17-13-28-15-29-14-17,22(34)31-18-6-9-24(26,27)10-7-18)32(21(33)12-25)19-4-2-16(3-5-19)20-8-11-30-35-20/h2-5,8,11,13-15,18H,6-7,9-10,12H2,1H3,(H,31,34)/t23-/m1/s1
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WIPO WO2021219089
n/an/a 1.37E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512545
PNG
(WO2021219089, INSCoV-504)
Show SMILES Fc1ccc(CN(C(C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)cc1
Show InChI InChI=1S/C22H25ClFN3O2/c23-13-20(28)27(15-16-8-10-18(24)11-9-16)21(17-5-4-12-25-14-17)22(29)26-19-6-2-1-3-7-19/h4-5,8-12,14,19,21H,1-3,6-7,13,15H2,(H,26,29)
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WIPO WO2021219089
n/an/a 1.63E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512807
PNG
(WO2021219089, INSCoV-600R (1B))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@H](N(C(=O)[C@@H]1CO1)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C24H23F2N5O4/c25-24(26)7-5-17(6-8-24)30-22(32)21(16-9-27-13-28-10-16)31(23(33)20-12-34-20)18-3-1-15(2-4-18)19-11-29-14-35-19/h1-4,9-11,13-14,17,20-21H,5-8,12H2,(H,30,32)/t20-,21+/m0/s1
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WIPO WO2021219089
n/an/a 1.67E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512911
PNG
(WO2021219089, INSCoV-704)
Show SMILES CC1(C)OCc2cc(cnc12)N(C(C(=O)Nc1cncc2ccccc12)c1ccno1)C(=O)CCl
Show InChI InChI=1S/C25H22ClN5O4/c1-25(2)23-16(14-34-25)9-17(12-28-23)31(21(32)10-26)22(20-7-8-29-35-20)24(33)30-19-13-27-11-15-5-3-4-6-18(15)19/h3-9,11-13,22H,10,14H2,1-2H3,(H,30,33)
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WIPO WO2021219089
n/an/a 1.94E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512805
PNG
(WO2021219089, INSCoV-600R (1))
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)[C@@H]1CO1)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C24H23F2N5O4/c25-24(26)7-5-17(6-8-24)30-22(32)21(16-9-27-13-28-10-16)31(23(33)20-12-34-20)18-3-1-15(2-4-18)19-11-29-14-35-19/h1-4,9-11,13-14,17,20-21H,5-8,12H2,(H,30,32)/t20-,21?/m0/s1
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WIPO WO2021219089
n/an/a 1.99E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512797
PNG
(WO2021219089, INSCoV-600Q (1))
Show SMILES Fc1cccc(CCN([C@H](C(=O)NC2CCC(F)(F)CC2)c2cncnc2)C(=O)C2CO2)c1
Show InChI InChI=1S/C23H25F3N4O3/c24-17-3-1-2-15(10-17)6-9-30(22(32)19-13-33-19)20(16-11-27-14-28-12-16)21(31)29-18-4-7-23(25,26)8-5-18/h1-3,10-12,14,18-20H,4-9,13H2,(H,29,31)/t19?,20-/m0/s1
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WIPO WO2021219089
n/an/a 2.26E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512897
PNG
(WO2021219089, INSCoV-612)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CC#N)c1ccc(cc1)-c1cncs1)c1cncnc1
Show InChI InChI=1S/C24H22F2N6O2S/c25-24(26)8-5-18(6-9-24)31-23(34)22(17-11-28-14-29-12-17)32(21(33)7-10-27)19-3-1-16(2-4-19)20-13-30-15-35-20/h1-4,11-15,18,22H,5-9H2,(H,31,34)
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WIPO WO2021219089
n/an/a 2.32E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512910
PNG
(WO2021219089, INSCoV-618)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)C=C)c1ccc(cc1)-c1cncs1)c1cncnc1
Show InChI InChI=1S/C24H23F2N5O2S/c1-2-21(32)31(19-5-3-16(4-6-19)20-13-29-15-34-20)22(17-11-27-14-28-12-17)23(33)30-18-7-9-24(25,26)10-8-18/h2-6,11-15,18,22H,1,7-10H2,(H,30,33)
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512594
PNG
(WO2021219089, INSCoV-520)
Show SMILES CN1CCC(CCN(C(C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)CC1
Show InChI InChI=1S/C23H35ClN4O2/c1-27-13-9-18(10-14-27)11-15-28(21(29)16-24)22(19-6-5-12-25-17-19)23(30)26-20-7-3-2-4-8-20/h5-6,12,17-18,20,22H,2-4,7-11,13-16H2,1H3,(H,26,30)
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512810
PNG
(WO2021219089, INSCoV-600R (2B))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@H](N(C(=O)[C@H]1CO1)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C24H23F2N5O4/c25-24(26)7-5-17(6-8-24)30-22(32)21(16-9-27-13-28-10-16)31(23(33)20-12-34-20)18-3-1-15(2-4-18)19-11-29-14-35-19/h1-4,9-11,13-14,17,20-21H,5-8,12H2,(H,30,32)/t20-,21-/m1/s1
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512636
PNG
(WO2021219089, INSCoV-537L)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)C1CO1)c1ccc(cc1)-c1ccno1)c1ccnnc1
Show InChI InChI=1S/C24H23F2N5O4/c25-24(26)9-5-17(6-10-24)30-22(32)21(16-7-11-27-28-13-16)31(23(33)20-14-34-20)18-3-1-15(2-4-18)19-8-12-29-35-19/h1-4,7-8,11-13,17,20-21H,5-6,9-10,14H2,(H,30,32)
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM70763
PNG
(2-(N-(2-chloro-1-oxoethyl)-3,4-dimethylanilino)-N-...)
Show SMILES Cc1ccc(cc1C)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C23H28ClN3O2/c1-16-10-11-20(13-17(16)2)27(21(28)14-24)22(18-7-6-12-25-15-18)23(29)26-19-8-4-3-5-9-19/h6-7,10-13,15,19,22H,3-5,8-9,14H2,1-2H3,(H,26,29)
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512443
PNG
(WO2021219089, INSCoV-501G (1))
Show SMILES Cc1ncoc1-c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cncnc1)C(=O)CCl
Show InChI InChI=1S/C24H26ClN5O3/c1-16-23(33-15-28-16)17-7-9-20(10-8-17)30(21(31)11-25)22(18-12-26-14-27-13-18)24(32)29-19-5-3-2-4-6-19/h7-10,12-15,19,22H,2-6,11H2,1H3,(H,29,32)
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512558
PNG
(WO2021219089, INSCoV-515)
Show SMILES CC(C)(C)c1ccc(N(C(C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)c(Br)c1
Show InChI InChI=1S/C25H31BrClN3O2/c1-25(2,3)18-11-12-21(20(26)14-18)30(22(31)15-27)23(17-8-7-13-28-16-17)24(32)29-19-9-5-4-6-10-19/h7-8,11-14,16,19,23H,4-6,9-10,15H2,1-3H3,(H,29,32)
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512646
PNG
(WO2021219089, INSCoV-539A)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccc(nc1)C#N)C(=O)CCl
Show InChI InChI=1S/C26H31ClN4O2/c1-26(2,3)19-10-13-22(14-11-19)31(23(32)15-27)24(18-9-12-21(16-28)29-17-18)25(33)30-20-7-5-4-6-8-20/h9-14,17,20,24H,4-8,15H2,1-3H3,(H,30,33)
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512649
PNG
(WO2021219089, INSCoV-557A)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1cccc2n(ccc12)C1CC1)c1cncnc1
Show InChI InChI=1S/C25H26ClF2N5O2/c26-12-22(34)33(21-3-1-2-20-19(21)8-11-32(20)18-4-5-18)23(16-13-29-15-30-14-16)24(35)31-17-6-9-25(27,28)10-7-17/h1-3,8,11,13-15,17-18,23H,4-7,9-10,12H2,(H,31,35)
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512899
PNG
(WO2021219089, INSCoV-614 (1A))
Show SMILES F[C@H](Cl)C(=O)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(cc1)-c1cncs1
Show InChI InChI=1S/C23H21ClF3N5O2S/c24-20(25)22(34)32(17-3-1-14(2-4-17)18-11-30-13-35-18)19(15-9-28-12-29-10-15)21(33)31-16-5-7-23(26,27)8-6-16/h1-4,9-13,16,19-20H,5-8H2,(H,31,33)/t19-,20-/m0/s1
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512671
PNG
(WO2021219089, INSCoV-570)
Show SMILES CC(Cl)C(=O)N(C(C(=O)NC1CCCCC1)c1cccnc1)c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C26H34ClN3O2/c1-18(27)25(32)30(22-14-12-20(13-15-22)26(2,3)4)23(19-9-8-16-28-17-19)24(31)29-21-10-6-5-7-11-21/h8-9,12-18,21,23H,5-7,10-11H2,1-4H3,(H,29,31)
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512806
PNG
(WO2021219089, INSCoV-600R (1A))
Show SMILES FC1(F)CCC(CC1)NC(=O)[C@@H](N(C(=O)[C@@H]1CO1)c1ccc(cc1)-c1cnco1)c1cncnc1
Show InChI InChI=1S/C24H23F2N5O4/c25-24(26)7-5-17(6-8-24)30-22(32)21(16-9-27-13-28-10-16)31(23(33)20-12-34-20)18-3-1-15(2-4-18)19-11-29-14-35-19/h1-4,9-11,13-14,17,20-21H,5-8,12H2,(H,30,32)/t20-,21-/m0/s1
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512711
PNG
(WO2021219089, INSCoV-575)
Show SMILES Cc1oc2ccc(cc2c1C)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C25H28ClN3O3/c1-16-17(2)32-22-11-10-20(13-21(16)22)29(23(30)14-26)24(18-7-6-12-27-15-18)25(31)28-19-8-4-3-5-9-19/h6-7,10-13,15,19,24H,3-5,8-9,14H2,1-2H3,(H,28,31)
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512589
PNG
(WO2021219089, INSCoV-517C (4))
Show SMILES F[C@H](Cl)C(=O)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1cncnc1)c1ccc(OC(F)(F)F)cc1C#N
Show InChI InChI=1S/C22H18ClF6N5O3/c23-18(24)20(36)34(16-2-1-15(7-12(16)8-30)37-22(27,28)29)17(13-9-31-11-32-10-13)19(35)33-14-3-5-21(25,26)6-4-14/h1-2,7,9-11,14,17-18H,3-6H2,(H,33,35)/t17-,18-/m0/s1
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512707
PNG
(WO2021219089, INSCoV-620)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CS)c1ccc(cc1)-c1cncs1)c1cncnc1
Show InChI InChI=1S/C23H23F2N5O2S2/c24-23(25)7-5-17(6-8-23)29-22(32)21(16-9-26-13-27-10-16)30(20(31)12-33)18-3-1-15(2-4-18)19-11-28-14-34-19/h1-4,9-11,13-14,17,21,33H,5-8,12H2,(H,29,32)
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512553
PNG
(WO2021219089, INSCoV-508)
Show SMILES COc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)CCl
Show InChI InChI=1S/C22H26ClN3O3/c1-29-19-11-5-10-18(13-19)26(20(27)14-23)21(16-7-6-12-24-15-16)22(28)25-17-8-3-2-4-9-17/h5-7,10-13,15,17,21H,2-4,8-9,14H2,1H3,(H,25,28)
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WIPO WO2021219089
n/an/a>2.50E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512413
PNG
(WO2021219089, INSCoV-110-1)
Show SMILES CC(C)(C)c1ccc(cc1)N([C@@H](C(=O)NC1CCCCC1)c1cccnc1)S(=O)(=O)C=C
Show InChI InChI=1S/C25H33N3O3S/c1-5-32(30,31)28(22-15-13-20(14-16-22)25(2,3)4)23(19-10-9-17-26-18-19)24(29)27-21-11-7-6-8-12-21/h5,9-10,13-18,21,23H,1,6-8,11-12H2,2-4H3,(H,27,29)/t23-/m1/s1
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WIPO WO2021219089
n/an/a 3.60E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512417
PNG
(WO2021219089, INSCoV-110D)
Show SMILES CC(C)(C)c1ccc(cc1)N([C@H](C(=O)NC1CCCCC1)c1cccnc1)C(=O)C=O
Show InChI InChI=1S/C25H31N3O3/c1-25(2,3)19-11-13-21(14-12-19)28(22(30)17-29)23(18-8-7-15-26-16-18)24(31)27-20-9-5-4-6-10-20/h7-8,11-17,20,23H,4-6,9-10H2,1-3H3,(H,27,31)/t23-/m0/s1
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WIPO WO2021219089
n/an/a>5.00E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512414
PNG
(WO2021219089, INSCoV-110-2)
Show SMILES CC(C)(C)c1ccc(cc1)N([C@H](C(=O)NC1CCCCC1)c1cccnc1)S(=O)(=O)C=C
Show InChI InChI=1S/C25H33N3O3S/c1-5-32(30,31)28(22-15-13-20(14-16-22)25(2,3)4)23(19-10-9-17-26-18-19)24(29)27-21-11-7-6-8-12-21/h5,9-10,13-18,21,23H,1,6-8,11-12H2,2-4H3,(H,27,29)/t23-/m0/s1
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WIPO WO2021219089
n/an/a>5.00E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512412
PNG
(WO2021219089, INSCoV-110B)
Show SMILES CC(C)(C)c1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1cccnc1)C(=O)C=C
Show InChI InChI=1S/C26H33N3O2/c1-5-23(30)29(22-15-13-20(14-16-22)26(2,3)4)24(19-10-9-17-27-18-19)25(31)28-21-11-7-6-8-12-21/h5,9-10,13-18,21,24H,1,6-8,11-12H2,2-4H3,(H,28,31)
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WIPO WO2021219089
n/an/a>5.00E+4n/an/an/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
he C-His6-tagged SARS-CoV-2 M PRO (NC_045512) was cloned, expressed in E. coli and purified by WuXi. The substrate of Dabcyl-KTSAVLQ‖SGFRKME- (...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512565
PNG
(WO2021219089, INSCoV-517)
Show SMILES FC(F)(F)Oc1ccc(N(C(C(=O)NC2CCCCC2)c2cccnc2)C(=O)CCl)c(c1)C#N
Show InChI InChI=1S/C23H22ClF3N4O3/c24-12-20(32)31(19-9-8-18(11-16(19)13-28)34-23(25,26)27)21(15-5-4-10-29-14-15)22(33)30-17-6-2-1-3-7-17/h4-5,8-11,14,17,21H,1-3,6-7,12H2,(H,30,33)
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WIPO WO2021219089
n/an/an/an/a 3.22E+3n/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
SARS-CoV-2 was provided by Korea Centers for Disease Control and Prevention (KCDC) . Vero cells were acquired from the ATCC and maintained in the Dul...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512573
PNG
(WO2021219089, INSCoV-517A)
Show SMILES FC(F)(F)Oc1ccc(N(C(C(=O)NC2CCC(F)(F)CC2)c2cncnc2)C(=O)CCl)c(c1)C#N
Show InChI InChI=1S/C22H19ClF5N5O3/c23-8-18(34)33(17-2-1-16(7-13(17)9-29)36-22(26,27)28)19(14-10-30-12-31-11-14)20(35)32-15-3-5-21(24,25)6-4-15/h1-2,7,10-12,15,19H,3-6,8H2,(H,32,35)
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WIPO WO2021219089
n/an/an/an/a 1.11E+4n/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
SARS-CoV-2 was provided by Korea Centers for Disease Control and Prevention (KCDC) . Vero cells were acquired from the ATCC and maintained in the Dul...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM50180655
PNG
(A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...)
Show SMILES CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1
Show InChI InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1
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WIPO WO2021219089
n/an/an/an/a 1.39E+4n/an/an/an/a



Insilico Medicine Ip Limited

WIPO


Assay Description
SARS-CoV-2 was provided by Korea Centers for Disease Control and Prevention (KCDC) . Vero cells were acquired from the ATCC and maintained in the Dul...


WIPO WO2021219089 (2021)

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


(2019-nCoV)
BDBM512815
PNG
(WO2021219089, INSCoV-601G)
Show SMILES FC1(F)CCC(CC1)NC(=O)C(N(C(=O)CCl)c1ccc(cc1)-c1cncs1)c1cnccn1
Show InChI InChI=1S/C23H22ClF2N5O2S/c24-11-20(32)31(17-3-1-15(2-4-17)19-13-28-14-34-19)21(18-12-27-9-10-29-18)22(33)30-16-5-7-23(25,26)8-6-16/h1-4,9-10,12-14,16,21H,5-8,11H2,(H,30,33)