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Compile Data Set for Download or QSAR

Found 146 hits of ec50 for UniProtKB: P0C6X7   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50080528
PNG
(3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)...)
Show SMILES C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1
Show InChI InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1
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n/an/an/an/a 40n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/an/an/a 51n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM38871
PNG
((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...)
Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1
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n/an/an/an/a 51n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM11262
PNG
(dipeptidomimetic unsaturated ester 18d | ethyl (2E...)
Show SMILES CCOC(=O)\C=C\[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\c1ccc(OC)cc1OC
Show InChI InChI=1S/C33H36N2O6/c1-4-41-32(37)20-17-27(21-24-11-7-5-8-12-24)34-33(38)29(22-25-13-9-6-10-14-25)35-31(36)19-16-26-15-18-28(39-2)23-30(26)40-3/h5-20,23,27,29H,4,21-22H2,1-3H3,(H,34,38)(H,35,36)/b19-16+,20-17+/t27-,29+/m1/s1
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n/an/an/an/a 110n/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
Replicase polyprotein 1ab


(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=1S/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+/m1/s1
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n/an/an/an/a 180n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM512605
PNG
(acs.jmedchem.1c00409_ST.198)
Show SMILES CCOC(=O)\C=C\C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C=Cc1ccc(cc1)N(C)C
Show InChI InChI=1S/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+
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n/an/an/an/a 180n/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.

J Med Chem 64: 16922-16955 (2021)

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


(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=1S/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+/m1/s1
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n/an/an/an/a 180n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM63919
PNG
(Anisomycin from Streptomyces griseolus | MLS001066...)
Show SMILES COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1
Show InChI InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1
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n/an/an/an/a 190n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM513874
PNG
(bioRxiv20220126.477782, S-217622 | bioRxiv20220126...)
Show SMILES Cn1cnc(Cn2c(=O)[nH]\c(=N/c3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1
Show InChI InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)
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n/an/an/an/a 210n/an/an/an/a



Shionogi Pharmaceutical Research Center



Assay Description
Antiviral activity against SARS-CoV-2, SARS-CoV, MERS-CoV and HCoV-229E was assessed by monitoring cell viability; that against HCoV-OC43 was assesse...

bioRxiv 2022: (2022)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM423444
PNG
(WO2005113580-Ex-46)
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(Cl)cccc1Cl
Show InChI InChI=1S/C31H34Cl2N4O7/c1-16(2)12-23(37-30(41)24-14-18-21(35-24)8-5-9-26(18)43-3)29(40)36-22(13-17-10-11-34-28(17)39)25(38)15-44-31(42)27-19(32)6-4-7-20(27)33/h4-9,14,16-17,22-23,35H,10-13,15H2,1-3H3,(H,34,39)(H,36,40)(H,37,41)/t17-,22-,23-/m0/s1
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WIPO WO2005113580
n/an/an/an/a 350n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM476299
PNG
(US10874683, Example 00106 | US10874683, Example 56...)
Show SMILES OC[C@H]1O[C@H](C(O)[C@H]1O)n1ccc(NO)nc1=O
Show InChI InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6+,7?,8-/m1/s1
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US Patent
n/an/an/an/a<380n/an/an/an/a



Emory University

US Patent


Assay Description
Several derivatives of EIDD-01931 have shown antiviral activity in screening against various viruses. Activity data is shown in the tables below. Nor...

US Patent US10874683 (2020)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM476300
PNG
(US10874683, Example 56.2)
Show SMILES CCCCCCCCC(=O)ONc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)n1
Show InChI InChI=1S/C18H29N3O7/c1-2-3-4-5-6-7-8-14(23)28-20-13-9-10-21(18(26)19-13)17-16(25)15(24)12(11-22)27-17/h9-10,12,15-17,22,24-25H,2-8,11H2,1H3,(H,19,20,26)/t12-,15+,16?,17-/m1/s1
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US Patent
n/an/an/an/a 480n/an/an/an/a



Emory University

US Patent


Assay Description
Several derivatives of EIDD-01931 have shown antiviral activity in screening against various viruses. Activity data is shown in the tables below. Nor...

US Patent US10874683 (2020)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM512446
PNG
(acs.jmedchem.1c00409_ST.39)
Show SMILES CC(OC(C)(C)C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CNC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O
Show InChI InChI=1S/C32H49N5O7/c1-21(44-32(2,3)4)27(37-31(42)43-20-22-11-7-5-8-12-22)30(41)36-26(18-34-24-13-9-6-10-14-24)29(40)35-25(19-38)17-23-15-16-33-28(23)39/h5,7-8,11-12,19,21,23-27,34H,6,9-10,13-18,20H2,1-4H3,(H,33,39)(H,35,40)(H,36,41)(H,37,42)/t21?,23-,25-,26-,27-/m0/s1
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n/an/an/an/a 600n/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.

J Med Chem 64: 16922-16955 (2021)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM476301
PNG
(US10874683, Example 56.3)
Show SMILES CCCCCCCOC(=O)ONc1ccn([C@@H]2O[C@H](CO)[C@H](O)C2O)c(=O)n1
Show InChI InChI=1S/C17H27N3O8/c1-2-3-4-5-6-9-26-17(25)28-19-12-7-8-20(16(24)18-12)15-14(23)13(22)11(10-21)27-15/h7-8,11,13-15,21-23H,2-6,9-10H2,1H3,(H,18,19,24)/t11-,13+,14?,15-/m1/s1
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US Patent
n/an/an/an/a 700n/an/an/an/a



Emory University

US Patent


Assay Description
Several derivatives of EIDD-01931 have shown antiviral activity in screening against various viruses. Activity data is shown in the tables below. Nor...

US Patent US10874683 (2020)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429291
PNG
(med.21724, Compound 27)
Show SMILES CCOC(=O)C1OC1C(=O)NC(CC(C)C)C(=O)NCCC(C)C
Show InChI InChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)
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Article
PubMed
n/an/an/an/a 760n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM423461
PNG
(WO2006061714-ID-03)
Show SMILES COC(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/C24H34N4O6/c1-13(2)10-17(22(30)28-19(24(32)34-4)11-14-8-9-25-21(14)29)27-23(31)18-12-15-16(26-18)6-5-7-20(15)33-3/h5-7,12-14,17,19,24,26,32H,8-11H2,1-4H3,(H,25,29)(H,27,31)(H,28,30)/t14-,17-,19+,24?/m0/s1
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WIPO WO2005113580
n/an/an/an/a 800n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM512486
PNG
(GC376\\(NC(=O)OCc1)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(O)(=O)=O
Show InChI InChI=1S/C21H31N3O8S/c1-13(2)10-16(24-21(28)32-12-14-6-4-3-5-7-14)19(26)23-17(20(27)33(29,30)31)11-15-8-9-22-18(15)25/h3-7,13,15-17,20,27H,8-12H2,1-2H3,(H,22,25)(H,23,26)(H,24,28)(H,29,30,31)/t15-,16-,17-,20-/m0/s1
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n/an/an/an/a 920n/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.

J Med Chem 64: 16922-16955 (2021)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM512896
PNG
(acs.jmedchem.1c00409_ST.491)
Show SMILES O=C1OC[C@H](Cc2ccc3OCOc3c2)C1=Cc1ccc2OCOc2c1
Show InChI InChI=1S/C20H16O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,6-8,14H,5,9-11H2/b15-6-/t14-/m0/s1
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n/an/an/an/a 1.13E+3n/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.

J Med Chem 64: 16922-16955 (2021)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50041457
PNG
(4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...)
Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
Show InChI InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
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n/an/an/an/a 1.27E+3n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM512525
PNG
(acs.jmedchem.1c00409_ST.118)
Show SMILES O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NCc1ccccc1)C=Cc1ccccc1
Show InChI InChI=1S/C33H40N4O5/c38-29(17-16-23-10-4-1-5-11-23)36-28(20-24-12-6-2-7-13-24)32(41)37-27(21-26-18-19-34-31(26)40)30(39)33(42)35-22-25-14-8-3-9-15-25/h1,3-5,8-11,14-17,24,26-28H,2,6-7,12-13,18-22H2,(H,34,40)(H,35,42)(H,36,38)(H,37,41)/b17-16+/t26-,27-,28-/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.

J Med Chem 64: 16922-16955 (2021)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM423462
PNG
(WO2006061714, P38.2 | WO2006061714-ID-04)
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
Show InChI InChI=1S/C23H30N4O5/c1-13(2)9-18(22(30)25-15(12-28)10-14-7-8-24-21(14)29)27-23(31)19-11-16-17(26-19)5-4-6-20(16)32-3/h4-6,11-15,18,26H,7-10H2,1-3H3,(H,24,29)(H,25,30)(H,27,31)/t14-,15-,18-/m0/s1
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WIPO WO2005113580
n/an/an/an/a 1.40E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM420295
PNG
(alpha-ketoamide inhibitor 13b | med.21724, Compoun...)
Show SMILES CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C31H39N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-24H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-/m0/s1
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n/an/an/an/a 1.75E+3n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM512616
PNG
(acs.jmedchem.1c00409_ST.209)
Show SMILES CC(C)(C)OC(=O)Nc1cccn([C@@H](CC2CC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O)C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C31H41N5O7/c1-31(2,3)43-30(42)35-22-10-7-15-36(29(22)41)24(16-19-11-12-19)27(39)34-23(17-21-13-14-32-26(21)38)25(37)28(40)33-18-20-8-5-4-6-9-20/h4-10,15,19,21,23-25,37H,11-14,16-18H2,1-3H3,(H,32,38)(H,33,40)(H,34,39)(H,35,42)/t21-,23-,24-,25+/m0/s1
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n/an/an/an/a 1.75E+3n/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.

J Med Chem 64: 16922-16955 (2021)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM512537
PNG
(acs.jmedchem.1c00409_ST.130)
Show SMILES O=C(N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NCc1ccccc1)C=Cc1ccccc1
Show InChI InChI=1S/C30H34N4O5/c35-26(14-13-20-7-3-1-4-8-20)33-25(17-21-11-12-21)29(38)34-24(18-23-15-16-31-28(23)37)27(36)30(39)32-19-22-9-5-2-6-10-22/h1-10,13-14,21,23-25H,11-12,15-19H2,(H,31,37)(H,32,39)(H,33,35)(H,34,38)/b14-13+/t23-,24-,25-/m0/s1
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n/an/an/an/a 1.90E+3n/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.

J Med Chem 64: 16922-16955 (2021)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM512691
PNG
(acs.jmedchem.1c00409_ST.285)
Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(=O)C(=O)NCc1ccccc1)C=Cc1ccccc1
Show InChI InChI=1S/C33H34N4O5/c38-29(17-16-23-10-4-1-5-11-23)36-28(20-24-12-6-2-7-13-24)32(41)37-27(21-26-18-19-34-31(26)40)30(39)33(42)35-22-25-14-8-3-9-15-25/h1-17,26-28H,18-22H2,(H,34,40)(H,35,42)(H,36,38)(H,37,41)/b17-16+/t26?,27-,28-/m0/s1
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n/an/an/an/a 2.00E+3n/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.

J Med Chem 64: 16922-16955 (2021)

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


(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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WIPO WO2005113580
n/an/an/an/a 2.30E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM512657
PNG
(acs.jmedchem.1c00409_ST.251)
Show SMILES O=C(N[C@@H](CC1CCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NCc1ccccc1)C=Cc1ccccc1
Show InChI InChI=1S/C32H38N4O5/c37-28(16-15-22-9-3-1-4-10-22)35-27(19-23-11-7-8-12-23)31(40)36-26(20-25-17-18-33-30(25)39)29(38)32(41)34-21-24-13-5-2-6-14-24/h1-6,9-10,13-16,23,25-27H,7-8,11-12,17-21H2,(H,33,39)(H,34,41)(H,35,37)(H,36,40)/b16-15+/t25-,26-,27-/m0/s1
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n/an/an/an/a 3.60E+3n/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.

J Med Chem 64: 16922-16955 (2021)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM423464
PNG
(WO2006061714, P38.7 | WO2006061714-ID-09 | cmdc.20...)
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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WIPO WO2005113580
n/an/an/an/a 3.60E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(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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WIPO WO2005113580
n/an/an/an/a 4.10E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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n/an/an/an/a 4.10E+3n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM423465
PNG
(WO2006061714, P38.8 | WO2006061714-ID-10 | cmdc.20...)
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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WIPO WO2005113580
n/an/an/an/a 4.20E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM420306
PNG
(DA-3003-1)
Show SMILES ClC1=C(NCCN2CCOCC2)C(=O)c2ncccc2C1=O
Show InChI InChI=1S/C15H16ClN3O3/c16-11-13(18-4-5-19-6-8-22-9-7-19)15(21)12-10(14(11)20)2-1-3-17-12/h1-3,18H,4-9H2
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n/an/an/an/a 4.47E+3n/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.

J Med Chem 64: 16922-16955 (2021)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM512404
PNG
(acs.jmedchem.1c00409_ST.1)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)NC(CC(C)C)C(=O)NC(CC1CCNC1=O)C(=O)CO
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n/an/an/an/a 4.80E+3n/an/an/an/a



Michigan State University



Assay Description
This is a review article. Please point to the original journal.

J Med Chem 64: 16922-16955 (2021)

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


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM429521
PNG
(med.21724, Compound Gemcitabine)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
Show InChI InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1
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n/an/an/an/a 4.95E+3n/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
Replicase polyprotein 1ab


(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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WIPO WO2005113580
n/an/an/an/a 5.00E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM420298
PNG
(PF-00835231 | PF-0835231 | WO2005113580-Ex-02 | WO...)
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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WIPO WO2005113580
n/an/an/an/a 5.10E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(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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WIPO WO2005113580
n/an/an/an/a 5.30E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM423443
PNG
(WO2005113580-Ex-45)
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(Cl)cc1
Show InChI InChI=1S/C31H35ClN4O7/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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WIPO WO2005113580
n/an/an/an/a 5.30E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM78576
PNG
(CIS-THIOTHIXENE | MLS000028463 | SMR000058396 | TH...)
Show SMILES CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1
Show InChI InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-
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PubMed
n/an/an/an/a 5.31E+3n/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
Replicase polyprotein 1ab


(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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WIPO WO2005113580
n/an/an/an/a 5.40E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM24226
PNG
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)
Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31)
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PubMed
n/an/an/an/a 5.59E+3n/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
Replicase polyprotein 1ab


(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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WIPO WO2005113580
n/an/an/an/a 5.80E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50017698
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
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n/an/an/an/a 5.90E+3n/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
Replicase polyprotein 1ab


(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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WIPO WO2005113580
n/an/an/an/a 5.90E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(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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WIPO WO2005113580
n/an/an/an/a 5.90E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(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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WIPO WO2005113580
n/an/an/an/a 5.90E+3n/an/an/an/a



Pfizer Inc.

WIPO


Assay Description
Protection from SARS Infection: Neutral Red Endpoint The ability of compounds to protect cells against infection by the SARS coronavirus is measured ...

WIPO WO2005113580 (2005)


BindingDB Entry DOI: 10.7270/Q2PV6NRF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM50017698
PNG
(4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-N,N...)
Show SMILES CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O2/c1-31(2)27(33)29(24-9-5-3-6-10-24,25-11-7-4-8-12-25)19-22-32-20-17-28(34,18-21-32)23-13-15-26(30)16-14-23/h3-16,34H,17-22H2,1-2H3
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n/an/an/an/a 5.90E+3n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM26948
PNG
(8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-tr...)
Show SMILES Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
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n/an/an/an/a 5.96E+3n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM67544
PNG
(N,N-dimethyl-3-[2-(trifluoromethyl)-10-phenothiazi...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(cc12)C(F)(F)F
Show InChI InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/an/an/a 6.39E+3n/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
Replicase polyprotein 1ab


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)		BDBM22985
PNG
(Aralen | CHEMBL76 | CHLOROQUINE PHOSPHATE | Chloro...)
Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)
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n/an/an/an/a 6.53E+3n/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
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