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Compile Data Set for Download or QSAR

Found 366 hits of ic50 data for polymerid = 4753   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM420298
PNG
(PF-00835231 | WO2005113580-Ex-02)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423450
PNG
(WO2005113580-Ex-52)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CNC(=O)c1ccccc1C#N
Show InChI InChI=1S/C32H36N6O6/c1-18(2)13-25(38-32(43)26-15-22-23(36-26)9-6-10-28(22)44-3)31(42)37-24(14-19-11-12-34-29(19)40)27(39)17-35-30(41)21-8-5-4-7-20(21)16-33/h4-10,15,18-19,24-25,36H,11-14,17H2,1-3H3,(H,34,40)(H,35,41)(H,37,42)(H,38,43)/t19-,24-,25-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423465
PNG
(WO2006061714-ID-10)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C22H28N4O4/c1-13(2)9-18(21(29)24-16(12-27)10-15-7-8-23-20(15)28)26-22(30)19-11-14-5-3-4-6-17(14)25-19/h3-6,11-13,15-16,18,25H,7-10H2,1-2H3,(H,23,28)(H,24,29)(H,26,30)/t15-,16-,18-/m0/s1
PDB
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423420
PNG
(WO2005113580-Ex-16)
Show SMILES CC(C)(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O5/c1-24(2,3)12-19(28-22(32)18-10-14-6-4-5-7-16(14)26-18)23(33)27-17(20(30)13-29)11-15-8-9-25-21(15)31/h4-7,10,15,17,19,26,29H,8-9,11-13H2,1-3H3,(H,25,31)(H,27,33)(H,28,32)/t15-,17-,19-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423414
PNG
(WO2005113580-Ex-08)
Show SMILES CCCC[C@H](NC(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O6/c1-3-4-6-17(23(32)28-18(20(30)13-29)11-14-9-10-25-22(14)31)27-24(33)19-12-15-16(26-19)7-5-8-21(15)34-2/h5,7-8,12,14,17-18,26,29H,3-4,6,9-11,13H2,1-2H3,(H,25,31)(H,27,33)(H,28,32)/t14-,17-,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423418
PNG
(WO2005113580-Ex-13)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C25H34N4O6/c1-25(2,3)12-19(24(34)28-17(20(31)13-30)10-14-8-9-26-22(14)32)29-23(33)18-11-15-16(27-18)6-5-7-21(15)35-4/h5-7,11,14,17,19,27,30H,8-10,12-13H2,1-4H3,(H,26,32)(H,28,34)(H,29,33)/t14-,17-,19-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423429
PNG
(WO2005113580-Ex-27)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C27H36N4O6/c1-37-24-9-5-8-19-18(24)14-22(29-19)27(36)31-21(12-16-6-3-2-4-7-16)26(35)30-20(23(33)15-32)13-17-10-11-28-25(17)34/h5,8-9,14,16-17,20-21,29,32H,2-4,6-7,10-13,15H2,1H3,(H,28,34)(H,30,35)(H,31,36)/t17-,20-,21-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423464
PNG
(WO2006061714-ID-09)
Show SMILES CC(C)C[C@H](NC(=O)c1nc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C21H27N5O4/c1-12(2)9-17(20(29)23-14(11-27)10-13-7-8-22-19(13)28)26-21(30)18-24-15-5-3-4-6-16(15)25-18/h3-6,11-14,17H,7-10H2,1-2H3,(H,22,28)(H,23,29)(H,24,25)(H,26,30)/t13-,14-,17-/m0/s1
PDB
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n/an/a 32n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423432
PNG
(WO2005113580-Ex-30)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1
Show InChI InChI=1S/C32H40N4O6/c1-32(2,3)17-26(36-30(39)25-16-22-23(34-25)11-8-12-28(22)41-4)31(40)35-24(15-21-13-14-33-29(21)38)27(37)19-42-18-20-9-6-5-7-10-20/h5-12,16,21,24,26,34H,13-15,17-19H2,1-4H3,(H,33,38)(H,35,40)(H,36,39)/t21-,24-,26-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423415
PNG
(WO2005113580-Ex-10)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CCC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C25H34N4O6/c1-14(2)7-8-18(24(33)29-19(21(31)13-30)11-15-9-10-26-23(15)32)28-25(34)20-12-16-17(27-20)5-4-6-22(16)35-3/h4-6,12,14-15,18-19,27,30H,7-11,13H2,1-3H3,(H,26,32)(H,28,34)(H,29,33)/t15-,18-,19-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423417
PNG
(WO2005113580-Ex-11)
Show SMILES COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CCC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1
Show InChI InChI=1S/C26H36N4O6/c1-15(2)8-9-19(29-26(34)21-13-17-18(28-21)6-5-7-23(17)36-4)25(33)30-20(22(31)14-35-3)12-16-10-11-27-24(16)32/h5-7,13,15-16,19-20,28H,8-12,14H2,1-4H3,(H,27,32)(H,29,34)(H,30,33)/t16-,19-,20-/m0/s1
PDB
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n/an/a 36n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423411
PNG
(WO2005113580-Ex-05)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C23H30N4O5/c1-13(2)9-18(27-23(32)19-10-14-5-3-4-6-16(14)25-19)22(31)26-17(20(29)12-28)11-15-7-8-24-21(15)30/h3-6,10,13,15,17-18,25,28H,7-9,11-12H2,1-2H3,(H,24,30)(H,26,31)(H,27,32)/t15-,17-,18-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423469
PNG
(WO2006061714-ID-14)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C=O
Show InChI InChI=1S/C23H32N4O5/c1-14(2)11-18(22(30)24-15(13-28)9-10-21(29)27(3)4)26-23(31)19-12-16-17(25-19)7-6-8-20(16)32-5/h6-8,12-15,18,25H,9-11H2,1-5H3,(H,24,30)(H,26,31)/t15-,18-/m0/s1
PDB
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n/an/a 50n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423410
PNG
(WO2005113580-Ex-03)
Show SMILES COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1
Show InChI InChI=1S/C25H34N4O6/c1-14(2)10-19(29-25(33)20-12-16-17(27-20)6-5-7-22(16)35-4)24(32)28-18(21(30)13-34-3)11-15-8-9-26-23(15)31/h5-7,12,14-15,18-19,27H,8-11,13H2,1-4H3,(H,26,31)(H,28,32)(H,29,33)/t15-,18-,19-/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423441
PNG
(WO2005113580-Ex-43)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c1ccc(cc1)C#N
Show InChI InChI=1S/C32H35N5O7/c1-18(2)13-25(37-31(41)26-15-22-23(35-26)5-4-6-28(22)43-3)30(40)36-24(14-21-11-12-34-29(21)39)27(38)17-44-32(42)20-9-7-19(16-33)8-10-20/h4-10,15,18,21,24-25,35H,11-14,17H2,1-3H3,(H,34,39)(H,36,40)(H,37,41)/t21-,24-,25-/m0/s1
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n/an/a 53n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423419
PNG
(WO2005113580-Ex-14)
Show SMILES COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1
Show InChI InChI=1S/C26H36N4O6/c1-26(2,3)13-20(30-24(33)19-12-16-17(28-19)7-6-8-22(16)36-5)25(34)29-18(21(31)14-35-4)11-15-9-10-27-23(15)32/h6-8,12,15,18,20,28H,9-11,13-14H2,1-5H3,(H,27,32)(H,29,34)(H,30,33)/t15-,18-,20-/m0/s1
PDB
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n/an/a 54n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11234
PNG
((2S)-N-(2-chloro-4-nitrophenyl)-2-{[4-(dimethylami...)
Show SMILES CN(C)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1Cl)[N+]([O-])=O
Show InChI InChI=1/C24H23ClN4O4/c1-28(2)18-10-8-17(9-11-18)23(30)27-22(14-16-6-4-3-5-7-16)24(31)26-21-13-12-19(29(32)33)15-20(21)25/h3-13,15,22H,14H2,1-2H3,(H,26,31)(H,27,30)/t22-/s2
PDB
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PC cid
PC sid
UniChem
Article
PubMed
30 -42.9 60n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 48: 4469-73 (2005)


Article DOI: 10.1021/jm050184y
BindingDB Entry DOI: 10.7270/Q20K26S1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423466
PNG
(WO2006061714-ID-11)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C26H38N4O6/c1-16(2)12-21(24(33)28-20(14-31)13-19-10-11-27-23(19)32)29-25(34)22(17(3)4)30-26(35)36-15-18-8-6-5-7-9-18/h5-9,14,16-17,19-22H,10-13,15H2,1-4H3,(H,27,32)(H,28,33)(H,29,34)(H,30,35)/t19-,20-,21-,22-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423442
PNG
(WO2005113580-Ex-44)
Show SMILES COc1ccc(cc1)C(=O)OCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1
Show InChI InChI=1S/C32H38N4O8/c1-18(2)14-25(36-31(40)26-16-22-23(34-26)6-5-7-28(22)43-4)30(39)35-24(15-20-12-13-33-29(20)38)27(37)17-44-32(41)19-8-10-21(42-3)11-9-19/h5-11,16,18,20,24-25,34H,12-15,17H2,1-4H3,(H,33,38)(H,35,39)(H,36,40)/t20-,24-,25-/m0/s1
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n/an/a 79n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423440
PNG
(WO2005113580-Ex-42)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c1ccc(F)cc1
Show InChI InChI=1S/C31H35FN4O7/c1-17(2)13-24(36-30(40)25-15-21-22(34-25)5-4-6-27(21)42-3)29(39)35-23(14-19-11-12-33-28(19)38)26(37)16-43-31(41)18-7-9-20(32)10-8-18/h4-10,15,17,19,23-24,34H,11-14,16H2,1-3H3,(H,33,38)(H,35,39)(H,36,40)/t19-,23-,24-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423439
PNG
(WO2005113580-Ex-41)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C32H38N4O7/c1-18(2)14-25(36-31(40)26-16-22-23(34-26)6-5-7-28(22)42-4)30(39)35-24(15-21-12-13-33-29(21)38)27(37)17-43-32(41)20-10-8-19(3)9-11-20/h5-11,16,18,21,24-25,34H,12-15,17H2,1-4H3,(H,33,38)(H,35,39)(H,36,40)/t21-,24-,25-/m0/s1
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n/an/a 82n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423438
PNG
(WO2005113580-Ex-40)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c1ccccc1
Show InChI InChI=1S/C31H36N4O7/c1-18(2)14-24(35-30(39)25-16-21-22(33-25)10-7-11-27(21)41-3)29(38)34-23(15-20-12-13-32-28(20)37)26(36)17-42-31(40)19-8-5-4-6-9-19/h4-11,16,18,20,23-24,33H,12-15,17H2,1-3H3,(H,32,37)(H,34,38)(H,35,39)/t20-,23-,24-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423423
PNG
(WO2005113580-Ex-20)
Show SMILES CC(C)(C)C[C@H](NC(=O)[C@H]1CCCO1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C20H33N3O6/c1-20(2,3)10-14(23-19(28)16-5-4-8-29-16)18(27)22-13(15(25)11-24)9-12-6-7-21-17(12)26/h12-14,16,24H,4-11H2,1-3H3,(H,21,26)(H,22,27)(H,23,28)/t12-,13-,14-,16+/m0/s1
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n/an/a 91n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423453
PNG
(WO2005113580-Ex-55)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CN=[N+]=[N-]
Show InChI InChI=1S/C24H31N7O5/c1-13(2)9-18(30-24(35)19-11-15-16(28-19)5-4-6-21(15)36-3)23(34)29-17(20(32)12-27-31-25)10-14-7-8-26-22(14)33/h4-6,11,13-14,17-18,28H,7-10,12H2,1-3H3,(H,26,33)(H,29,34)(H,30,35)/t14-,17-,18-/m0/s1
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n/an/a 101n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423426
PNG
(WO2005113580-Ex-23)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C27H30N4O6/c1-37-24-9-5-8-19-18(24)14-22(29-19)27(36)31-21(12-16-6-3-2-4-7-16)26(35)30-20(23(33)15-32)13-17-10-11-28-25(17)34/h2-9,14,17,20-21,29,32H,10-13,15H2,1H3,(H,28,34)(H,30,35)(H,31,36)/t17-,20-,21-/m0/s1
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n/an/a 103n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423421
PNG
(WO2005113580-Ex-17)
Show SMILES COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C25H34N4O5/c1-25(2,3)13-20(29-23(32)19-11-15-7-5-6-8-17(15)27-19)24(33)28-18(21(30)14-34-4)12-16-9-10-26-22(16)31/h5-8,11,16,18,20,27H,9-10,12-14H2,1-4H3,(H,26,31)(H,28,33)(H,29,32)/t16-,18-,20-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423431
PNG
(WO2005113580-Ex-29)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C25H34N4O6/c1-14(2)10-20(24(33)28-18(21(31)13-30)11-15-8-9-26-23(15)32)29(3)25(34)19-12-16-17(27-19)6-5-7-22(16)35-4/h5-7,12,14-15,18,20,27,30H,8-11,13H2,1-4H3,(H,26,32)(H,28,33)/t15-,18-,20-/m0/s1
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n/an/a 105n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423455
PNG
(WO2005113580-Ex-57)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CNS(C)(=O)=O
Show InChI InChI=1S/C25H35N5O7S/c1-14(2)10-19(30-25(34)20-12-16-17(28-20)6-5-7-22(16)37-3)24(33)29-18(11-15-8-9-26-23(15)32)21(31)13-27-38(4,35)36/h5-7,12,14-15,18-19,27-28H,8-11,13H2,1-4H3,(H,26,32)(H,29,33)(H,30,34)/t15-,18-,19-/m0/s1
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n/an/a 107n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423422
PNG
(WO2005113580-Ex-18)
Show SMILES CCOCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C26H36N4O5/c1-5-35-15-22(31)19(13-17-10-11-27-23(17)32)29-25(34)21(14-26(2,3)4)30-24(33)20-12-16-8-6-7-9-18(16)28-20/h6-9,12,17,19,21,28H,5,10-11,13-15H2,1-4H3,(H,27,32)(H,29,34)(H,30,33)/t17-,19-,21-/m0/s1
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n/an/a 112n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423412
PNG
(WO2005113580-Ex-06)
Show SMILES COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C24H32N4O5/c1-14(2)10-19(28-24(32)20-11-15-6-4-5-7-17(15)26-20)23(31)27-18(21(29)13-33-3)12-16-8-9-25-22(16)30/h4-7,11,14,16,18-19,26H,8-10,12-13H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)/t16-,18-,19-/m0/s1
PDB
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n/an/a 131n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423428
PNG
(WO2005113580-Ex-26)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1
Show InChI InChI=1S/C34H42N4O6/c1-43-31-14-8-13-26-25(31)19-29(36-26)34(42)38-28(17-22-9-4-2-5-10-22)33(41)37-27(18-24-15-16-35-32(24)40)30(39)21-44-20-23-11-6-3-7-12-23/h3,6-8,11-14,19,22,24,27-28,36H,2,4-5,9-10,15-18,20-21H2,1H3,(H,35,40)(H,37,41)(H,38,42)/t24-,27-,28-/m0/s1
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n/an/a 133n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423437
PNG
(WO2005113580-Ex-39)
Show SMILES CC(C)(C)C[C@H](NC(=O)[C@H]1CCCO1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C27H35Cl2N3O7/c1-27(2,3)13-19(32-25(36)21-8-5-11-38-21)24(35)31-18(12-15-9-10-30-23(15)34)20(33)14-39-26(37)22-16(28)6-4-7-17(22)29/h4,6-7,15,18-19,21H,5,8-14H2,1-3H3,(H,30,34)(H,31,35)(H,32,36)/t15-,18-,19-,21+/m0/s1
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n/an/a 133n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423427
PNG
(WO2005113580-Ex-25)
Show SMILES CC(C)C[C@H](N(C)C(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO
Show InChI InChI=1S/C24H32N4O5/c1-14(2)10-20(28(3)24(33)19-11-15-6-4-5-7-17(15)26-19)23(32)27-18(21(30)13-29)12-16-8-9-25-22(16)31/h4-7,11,14,16,18,20,26,29H,8-10,12-13H2,1-3H3,(H,25,31)(H,27,32)/t16-,18-,20-/m0/s1
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n/an/a 152n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50495206
PNG
(CHEMBL3105073)
Show SMILES Clc1cc(CSC(=S)NCc2cccnc2)c(Cl)s1
Show InChI InChI=1S/C12H10Cl2N2S3/c13-10-4-9(11(14)19-10)7-18-12(17)16-6-8-2-1-3-15-5-8/h1-5H,6-7H2,(H,16,17)
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n/an/a 160n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...


Bioorg Med Chem 22: 167-77 (2014)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423445
PNG
(WO2005113580-Ex-47)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)c1c(C)cccc1C
Show InChI InChI=1S/C33H40N4O7/c1-18(2)14-25(37-32(41)26-16-22-23(35-26)10-7-11-28(22)43-5)31(40)36-24(15-21-12-13-34-30(21)39)27(38)17-44-33(42)29-19(3)8-6-9-20(29)4/h6-11,16,18,21,24-25,35H,12-15,17H2,1-5H3,(H,34,39)(H,36,40)(H,37,41)/t21-,24-,25-/m0/s1
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n/an/a 160n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423435
PNG
(WO2005113580-Ex-37)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)C1CC1
Show InChI InChI=1S/C28H36N4O7/c1-15(2)11-21(32-27(36)22-13-18-19(30-22)5-4-6-24(18)38-3)26(35)31-20(12-17-9-10-29-25(17)34)23(33)14-39-28(37)16-7-8-16/h4-6,13,15-17,20-21,30H,7-12,14H2,1-3H3,(H,29,34)(H,31,35)(H,32,36)/t17-,20-,21-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423433
PNG
(WO2005113580-Ex-34)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)CO
Show InChI InChI=1S/C24H34N4O6/c1-14(2)11-18(23(32)26-17(20(30)13-29)9-10-22(31)28(3)4)27-24(33)19-12-15-16(25-19)7-6-8-21(15)34-5/h6-8,12,14,17-18,25,29H,9-11,13H2,1-5H3,(H,26,32)(H,27,33)/t17-,18-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423447
PNG
(WO2005113580-Ex-49)
Show SMILES COc1cccc(OC)c1C(=O)OCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1
Show InChI InChI=1S/C33H40N4O9/c1-18(2)14-23(37-32(41)24-16-20-21(35-24)8-6-9-26(20)43-3)31(40)36-22(15-19-12-13-34-30(19)39)25(38)17-46-33(42)29-27(44-4)10-7-11-28(29)45-5/h6-11,16,18-19,22-23,35H,12-15,17H2,1-5H3,(H,34,39)(H,36,40)(H,37,41)/t19-,22-,23-/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423434
PNG
(WO2005113580-Ex-36)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(C)=O
Show InChI InChI=1S/C26H34N4O7/c1-14(2)10-20(30-26(35)21-12-17-18(28-21)6-5-7-23(17)36-4)25(34)29-19(22(32)13-37-15(3)31)11-16-8-9-27-24(16)33/h5-7,12,14,16,19-20,28H,8-11,13H2,1-4H3,(H,27,33)(H,29,34)(H,30,35)/t16-,19-,20-/m0/s1
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n/an/a 220n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423436
PNG
(WO2005113580-Ex-38)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COC(=O)C(C)(C)C
Show InChI InChI=1S/C29H40N4O7/c1-16(2)12-21(33-27(37)22-14-18-19(31-22)8-7-9-24(18)39-6)26(36)32-20(13-17-10-11-30-25(17)35)23(34)15-40-28(38)29(3,4)5/h7-9,14,16-17,20-21,31H,10-13,15H2,1-6H3,(H,30,35)(H,32,36)(H,33,37)/t17-,20-,21-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50273967
PNG
(CHEMBL2441741)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C34H40N4O6/c1-22(2)17-29(32(41)36-27(20-39)18-26-15-16-35-31(26)40)37-33(42)30(38-34(43)44-21-23-9-4-3-5-10-23)19-25-13-8-12-24-11-6-7-14-28(24)25/h3-14,20,22,26-27,29-30H,15-19,21H2,1-2H3,(H,35,40)(H,36,41)(H,37,42)(H,38,43)/t26-,27-,29-,30-/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Kansas State University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease by FRET assay


Bioorg Med Chem Lett 23: 6317-20 (2013)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11292
PNG
(1,5-dichloro-2-{[2,6-dinitro-4-(trifluoromethyl)be...)
Show SMILES Cc1cc(c(Cl)cc1Cl)S(=O)(=O)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C14H7Cl2F3N2O6S/c1-6-2-12(9(16)5-8(6)15)28(26,27)13-10(20(22)23)3-7(14(17,18)19)4-11(13)21(24)25/h2-5H,1H3
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n/an/a 300n/an/an/an/a7.025



National Defense Medical Center



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 5154-61 (2006)


Article DOI: 10.1021/jm060207o
BindingDB Entry DOI: 10.7270/Q2M906V0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50494125
PNG
(CHEMBL2441745)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC(C)C
Show InChI InChI=1S/C38H47N5O7/c1-23(2)19-31(35(46)41-30(21-28-17-18-39-34(28)45)33(44)37(48)40-24(3)4)42-36(47)32(43-38(49)50-22-25-11-6-5-7-12-25)20-27-15-10-14-26-13-8-9-16-29(26)27/h5-16,23-24,28,30-32H,17-22H2,1-4H3,(H,39,45)(H,40,48)(H,41,46)(H,42,47)(H,43,49)/t28-,30-,31-,32-/m0/s1
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n/an/a 610n/an/an/an/an/an/a



Kansas State University

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease by FRET assay


Bioorg Med Chem Lett 23: 6317-20 (2013)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM420957
PNG
(US9975885, Compound 55)
Show SMILES CC(C)C(=O)Nc1ccc(cc1)N(C(C(=O)NCc1ccccc1)c1ccc(Cl)c(F)c1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C33H30ClFN6O3/c1-21(2)32(43)37-24-13-15-25(16-14-24)41(30(42)20-40-29-11-7-6-10-28(29)38-39-40)31(23-12-17-26(34)27(35)18-23)33(44)36-19-22-8-4-3-5-9-22/h3-18,21,31H,19-20H2,1-2H3,(H,36,44)(H,37,43)
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US Patent
n/an/a 800n/an/an/an/an/an/a



PURDUE RESEARCH FOUNDATION

US Patent


Assay Description
The inhibitor library was first screened for inhibition of each 3CLpro at a concentration of 100 μM in duplicate assays containing the following...


US Patent US9975885 (2018)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11293
PNG
(4-({4-[(2,3,3-trichloroprop-2-enoyl)oxy]benzene}su...)
Show SMILES ClC(Cl)=C(Cl)C(=O)Oc1ccc(cc1)S(=O)(=O)c1ccc(OC(=O)C(Cl)=C(Cl)Cl)cc1
Show InChI InChI=1S/C18H8Cl6O6S/c19-13(15(21)22)17(25)29-9-1-5-11(6-2-9)31(27,28)12-7-3-10(4-8-12)30-18(26)14(20)16(23)24/h1-8H
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n/an/a 900n/an/an/an/a7.025



National Defense Medical Center



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


J Med Chem 49: 5154-61 (2006)


Article DOI: 10.1021/jm060207o
BindingDB Entry DOI: 10.7270/Q2M906V0
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423430
PNG
(WO2005113580-Ex-28)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1
Show InChI InChI=1S/C32H40N4O6/c1-20(2)15-27(36(3)32(40)26-17-23-24(34-26)11-8-12-29(23)41-4)31(39)35-25(16-22-13-14-33-30(22)38)28(37)19-42-18-21-9-6-5-7-10-21/h5-12,17,20,22,25,27,34H,13-16,18-19H2,1-4H3,(H,33,38)(H,35,39)/t22-,25-,27-/m0/s1
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n/an/a 927n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50495212
PNG
(CHEMBL1876821)
Show SMILES CN(CC(=O)NC1CCCC1)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C14H19ClN2O3S/c1-17(10-14(18)16-12-6-2-3-7-12)21(19,20)13-8-4-5-11(15)9-13/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,16,18)
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n/an/a 940n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of SARS coronavirus 3C-like protease using 5-FAM-TSATLQSGFRK(QXL520)-NH2 as substrate preincubated for 5 mins followed by substrate additi...


Bioorg Med Chem 22: 167-77 (2014)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM11261
PNG
(dipeptidomimetic unsaturated ester 18c | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(cc1)N(C)C
Show InChI InChI=1/C33H37N3O4/c1-4-40-32(38)22-18-28(23-26-11-7-5-8-12-26)34-33(39)30(24-27-13-9-6-10-14-27)35-31(37)21-17-25-15-19-29(20-16-25)36(2)3/h5-22,28,30H,4,23-24H2,1-3H3,(H,34,39)(H,35,37)/b21-17+,22-18+/t28-,30+/s2
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520 -35.9 1.00E+3n/an/an/an/a7.025



National Taiwan University



Assay Description
The effects of compound on enzyme activity were measured by using a fluorogenic peptide cleavage assay. Enhanced fluorescence caused by cleavage of t...


Bioorg Med Chem 13: 5240-52 (2005)


Article DOI: 10.1016/j.bmc.2005.05.065
BindingDB Entry DOI: 10.7270/Q2VT1Q9R
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50494994
PNG
(CHEMBL3099526)
Show SMILES CC1CCN(CC1)S(=O)(=O)c1ccc2N(C)C(=O)C(=O)c2c1
Show InChI InChI=1S/C15H18N2O4S/c1-10-5-7-17(8-6-10)22(20,21)11-3-4-13-12(9-11)14(18)15(19)16(13)2/h3-4,9-10H,5-8H2,1-2H3
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n/an/a 1.04E+3n/an/an/an/an/an/a



Tianjin University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged SARS coronavirus 3C-like protease by FRET assay


Bioorg Med Chem 22: 292-302 (2014)

More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423424
PNG
(WO2005113580-Ex-21)
Show SMILES COCC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@H]1CCCO1
Show InChI InChI=1S/C21H35N3O6/c1-21(2,3)11-15(24-20(28)17-6-5-9-30-17)19(27)23-14(16(25)12-29-4)10-13-7-8-22-18(13)26/h13-15,17H,5-12H2,1-4H3,(H,22,26)(H,23,27)(H,24,28)/t13-,14-,15-,17+/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
The SARS 3CLpro FRET assay measures the protease catalyzed cleavage of TAMRA- SITSAVLQSGFRKMK-(DABCYL)-OH to TAMRA - SITSAVLQ and SGFRKMK- (DABCYL)-O...


WIPO WO2005113580A1 (2005)

More data for this
Ligand-Target Pair
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