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Compile Data Set for Download or QSAR

Found 595 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
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429298
PNG
(jm5b01461, Compound 118)
Show SMILES Fc1ccc2cc([nH]c2c1)C(=O)C(=O)On1nnc2ccccc12
Show InChI InChI=1S/C16H9FN4O3/c17-10-6-5-9-7-13(18-12(9)8-10)15(22)16(23)24-21-14-4-2-1-3-11(14)19-20-21/h1-8,18H
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n/an/a 14n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423465
PNG
(WO2006061714, P38.8 | 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
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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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429304
PNG
(jm5b01461, Compound 124)
Show SMILES Clc1cncc(OC(=O)c2cccc3[nH]ccc23)c1
Show InChI InChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H
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n/an/a 30n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429304
PNG
(jm5b01461, Compound 124)
Show SMILES Clc1cncc(OC(=O)c2cccc3[nH]ccc23)c1
Show InChI InChI=1S/C14H9ClN2O2/c15-9-6-10(8-16-7-9)19-14(18)12-2-1-3-13-11(12)4-5-17-13/h1-8,17H
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n/an/a 30n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423464
PNG
(WO2006061714, P38.7 | 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
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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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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
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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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50208940
PNG
(5-bromo-pyridin-3-yl furan-2-carboxylate | 5-bromo...)
Show SMILES Brc1cncc(OC(=O)c2ccco2)c1
Show InChI InChI=1S/C10H6BrNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
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n/an/a 50n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM423469
PNG
(WO2006061714, P39.4 | 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
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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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429350
PNG
(jm5b01461, Compound 167)
Show SMILES Cn1ccc(CN(C(=O)Cn2nnc3ccccc23)c2ccc(cc2)-c2ccccc2)c1
Show InChI InChI=1S/C26H23N5O/c1-29-16-15-20(17-29)18-30(23-13-11-22(12-14-23)21-7-3-2-4-8-21)26(32)19-31-25-10-6-5-9-24(25)27-28-31/h2-17H,18-19H2,1H3
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n/an/a 51n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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
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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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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=1S/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-/m0/s1
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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, P39.1 | 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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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=1S/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-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM32805
PNG
((5-chloranylpyridin-3-yl) furan-2-carboxylate | (5...)
Show SMILES Clc1cncc(OC(=O)c2ccco2)c1
Show InChI InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
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n/an/a 60n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
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=1S/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-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM32805
PNG
((5-chloranylpyridin-3-yl) furan-2-carboxylate | (5...)
Show SMILES Clc1cncc(OC(=O)c2ccco2)c1
Show InChI InChI=1S/C10H6ClNO3/c11-7-4-8(6-12-5-7)15-10(13)9-2-1-3-14-9/h1-6H
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n/an/a 60n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50208942
PNG
(5-chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-car...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Oc1cncc(Cl)c1
Show InChI InChI=1S/C16H9Cl2NO3/c17-11-3-1-10(2-4-11)14-5-6-15(22-14)16(20)21-13-7-12(18)8-19-9-13/h1-9H
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n/an/a 63n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50208942
PNG
(5-chloropyridin-3-yl 5-(4-chlorophenyl)furan-2-car...)
Show SMILES Clc1ccc(cc1)-c1ccc(o1)C(=O)Oc1cncc(Cl)c1
Show InChI InChI=1S/C16H9Cl2NO3/c17-11-3-1-10(2-4-11)14-5-6-15(22-14)16(20)21-13-7-12(18)8-19-9-13/h1-9H
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n/an/a 63n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50208939
PNG
(5-chloro-pyridin-3-yl-1H-indole-2-carboxylate | 5-...)
Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3[nH]2)c1
Show InChI InChI=1S/C14H9ClN2O2/c15-10-6-11(8-16-7-10)19-14(18)13-5-9-3-1-2-4-12(9)17-13/h1-8,17H
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n/an/a 65n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50208939
PNG
(5-chloro-pyridin-3-yl-1H-indole-2-carboxylate | 5-...)
Show SMILES Clc1cncc(OC(=O)c2cc3ccccc3[nH]2)c1
Show InChI InChI=1S/C14H9ClN2O2/c15-10-6-11(8-16-7-10)19-14(18)13-5-9-3-1-2-4-12(9)17-13/h1-8,17H
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n/an/a 65n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50484478
PNG
(CHEMBL1929019 | jm5b01461, Compound 47)
Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C=O
Show InChI InChI=1S/C28H45N7O7/c1-16(2)24(35-25(39)17(3)31-27(41)23(14-37)32-18(4)38)28(42)34-22(10-19-8-6-5-7-9-19)26(40)33-21(13-36)11-20-12-29-15-30-20/h12-13,15-17,19,21-24,37H,5-11,14H2,1-4H3,(H,29,30)(H,31,41)(H,32,38)(H,33,40)(H,34,42)(H,35,39)/t17-,21-,22-,23-,24-/m0/s1
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n/an/a 65n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429308
PNG
(jm5b01461, Compound 128)
Show SMILES Clc1ccnc(OC(=O)c2cccc3cc[nH]c23)c1
Show InChI InChI=1S/C14H9ClN2O2/c15-10-5-7-16-12(8-10)19-14(18)11-3-1-2-9-4-6-17-13(9)11/h1-8,17H
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n/an/a 80n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429426
PNG
(med.21724, Compound 99)
Show SMILES Clc1cncc(OC(=O)c2cccc3cc[nH]c23)c1
Show InChI InChI=1S/C14H9ClN2O2/c15-10-6-11(8-16-7-10)19-14(18)12-3-1-2-9-4-5-17-13(9)12/h1-8,17H
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n/an/a 80n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50484482
PNG
(CHEMBL1929017 | med.21724, Compound 45)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C=O
Show InChI InChI=1S/C25H41N7O7/c1-13(2)7-19(23(37)30-18(10-33)8-17-9-26-12-27-17)31-25(39)21(14(3)4)32-22(36)15(5)28-24(38)20(11-34)29-16(6)35/h9-10,12-15,18-21,34H,7-8,11H2,1-6H3,(H,26,27)(H,28,38)(H,29,35)(H,30,37)(H,31,39)(H,32,36)/t15-,18-,19-,20-,21-/m0/s1
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PubMed
n/an/a 98n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


J Med Chem 59: 6595-628 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01461
BindingDB Entry DOI: 10.7270/Q2PK0JH1
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM429375
PNG
(med.21724, Compound 46)
Show SMILES C[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C=O
Show InChI InChI=1S/C22H34N6O6/c1-13(25-21(33)18(11-30)26-14(2)31)20(32)28-19(15-6-4-3-5-7-15)22(34)27-17(10-29)8-16-9-23-12-24-16/h9-10,12-13,15,17-19,30H,3-8,11H2,1-2H3,(H,23,24)(H,25,33)(H,26,31)(H,27,34)(H,28,32)/t13-,17-,18-,19-/m0/s1
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n/an/a 98n/an/an/an/an/an/a



University of Bonn



Assay Description
This is a review article.


Med Res Rev (2020)


Article DOI: 10.1002/med.21724
BindingDB Entry DOI: 10.7270/Q2JS9ST6
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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
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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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
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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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)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
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