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Compile Data Set for Download or QSAR

Found 601 hits of ic50 for UniProtKB: P0C6X1   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Replicase polyprotein 1ab


(HCoV-229E)
BDBM50599200
PNG
(CHEMBL5182995 | US11753373, Compound D-1-c)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO)C2(C)C |r|
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UniChem
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n/an/a 13n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00260
BindingDB Entry DOI: 10.7270/Q2D50S0K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM525176
PNG
(N-[(1S)-1-[[(3-amino-3-oxo-propyl)-(2-chloroacetyl...)
Show SMILES CC(C)C[C@H](NC(=O)Oc1cc2ccccc2[nH]1)C(=O)NN(CCC(N)=O)C(=O)CCl
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WIPO WO2022043374
n/an/a 13n/an/an/an/an/an/a


TBA

Assay Description
For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM50599197
PNG
(CHEMBL5173582 | US11753373, Compound D-1-f)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C2(C)C |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00260
BindingDB Entry DOI: 10.7270/Q2D50S0K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM525203
PNG
(N-[(1S)-1-[[(2-Chloroacetyl)-[(2-oxo-pyrrolidin-3-...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NN(C[C@H]1CCNC1=O)C(=O)CCl
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WIPO WO2022043374
n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM525228
PNG
(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Show SMILES Cc1cc(no1)C(=O)N[C@@H](CC1(C)CC1)C(=O)NN(C[C@H]1CCNC1=O)C(=O)C(F)Cl
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WIPO WO2022043374
n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM525250
PNG
(N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(...)
Show SMILES F[C@H](Cl)C(=O)N(C[C@@H]1CCNC1=O)NC(=O)[C@H](CC12CC(C1)C2)NC(=O)c1cc(on1)C(F)(F)F
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WIPO WO2022043374
n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM525229
PNG
(N-[(1S)-1-(1-bicyclo[1.1.1]pentanylmethyl)-2-[2-[(...)
Show SMILES Cc1cc(no1)C(=O)N[C@@H](CC12CC(C1)C2)C(=O)NN(C[C@H]1CCNC1=O)C(=O)[C@H](F)Cl
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WIPO WO2022043374
n/an/a 25n/an/an/an/an/an/a


TBA

Assay Description
For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM525251
PNG
(N-[(1S)-2-[2-[(2R)-2-chloro-2-fluoro-acetyl]-2-[[(...)
Show SMILES FC(F)c1cc(no1)C(=O)N[C@@H](CC12CC(C1)C2)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl
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WIPO WO2022043374
n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM525230
PNG
(WO2022043374, Example 72)
Show SMILES Cc1cc(no1)C(=O)N[C@@H](CC1CCC1)C(=O)NN(C[C@H]1CCNC1=O)C(=O)[C@H](F)Cl
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WIPO WO2022043374
n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM525253
PNG
(WO2022043374, Example 73)
Show SMILES Cc1cc(no1)C(=O)N[C@@H](CC1CCCC1)C(=O)NN(CCC(N)=O)C(=O)C(F)Cl
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TBA

Assay Description
For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM448319
PNG
(GC-376 | GC376)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCNC1=O)C(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)/p-1/t15?,16-,17-,20?/m0/s1
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n/an/a 69n/an/an/an/an/an/a



The University of Arizona



Assay Description
Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre...


ACS Pharmacol Transl Sci 4: 1408-1421 (2021)


Article DOI: 10.1021/acsptsci.1c00099
BindingDB Entry DOI: 10.7270/Q20V8GWQ
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM50599203
PNG
(CHEMBL5183165)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)C(=O)NC1CC1)C2(C)C |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00260
BindingDB Entry DOI: 10.7270/Q2D50S0K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM525252
PNG
(N-[(1S)-1-[[[(2R)-2-chloro-2-fluoro-acetyl]-[[(3S)...)
Show SMILES CC(C)CC[C@H](NC(=O)c1cc(C)on1)C(=O)NN(C[C@@H]1CCNC1=O)C(=O)[C@H](F)Cl
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WIPO WO2022043374
n/an/a 74n/an/an/an/an/an/a


TBA

Assay Description
For the HCoV-229E 3CLpro assay, 2 μL of 0.02 μM recombinant HCoV-229E 3CL protease were mixed with serial dilutions of each com...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2SF30BV
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM484194
PNG
(UAWJ9-36-1)
Show SMILES O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H29N3O5/c27-13-18(11-16-9-10-24-21(16)28)25-22(29)20-19-8-4-7-17(19)12-26(20)23(30)31-14-15-5-2-1-3-6-15/h1-3,5-6,13,16-20H,4,7-12,14H2,(H,24,28)(H,25,29)/t16-,17-,18-,19-,20-/m0/s1
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Article
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n/an/a 100n/an/an/an/an/an/a



The University of Arizona



Assay Description
Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre...


ACS Pharmacol Transl Sci 4: 1408-1421 (2021)


Article DOI: 10.1021/acsptsci.1c00099
BindingDB Entry DOI: 10.7270/Q20V8GWQ
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM484195
PNG
(UAWJ9-36-3)
Show SMILES CC1(C)[C@H]2CN([C@@H]([C@@H]12)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C23H29N3O5/c1-23(2)17-11-26(22(30)31-13-14-6-4-3-5-7-14)19(18(17)23)21(29)25-16(12-27)10-15-8-9-24-20(15)28/h3-7,12,15-19H,8-11,13H2,1-2H3,(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1
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UniChem
Article
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n/an/a 110n/an/an/an/an/an/a



The University of Arizona



Assay Description
Enzymatic inhibition of GC-376, UAWJ9-36-1, and UAWJ9-36-3 against Mpro's from all seven human coronaviruses. Data fittings of the proteolytic progre...


ACS Pharmacol Transl Sci 4: 1408-1421 (2021)


Article DOI: 10.1021/acsptsci.1c00099
BindingDB Entry DOI: 10.7270/Q20V8GWQ
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM496902
PNG
(CVD-0018409 | PF-07321332 | US11351149, Example 13...)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C
Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1
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PubMed
n/an/a 145n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00260
BindingDB Entry DOI: 10.7270/Q2D50S0K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM535146
PNG
(WO2022013684, Example 13)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00260
BindingDB Entry DOI: 10.7270/Q2D50S0K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM50599202
PNG
(CHEMBL5173858)
Show SMILES CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)C2(C)C |r|
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n/an/a 290n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00260
BindingDB Entry DOI: 10.7270/Q2D50S0K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM50599204
PNG
(CHEMBL5174632)
Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)COCc1ccccc1)C2(C)C |r|
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TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00260
BindingDB Entry DOI: 10.7270/Q2D50S0K
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM428977
PNG
(jm5b01461, Compound 18)
Show SMILES CCOC(=O)C=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C |w:5.4|
Show InChI InChI=1S/C33H50N4O8/c1-8-43-27(38)15-14-25(19-24-16-17-34-29(24)39)35-30(40)26(18-21(2)3)36-31(41)28(22(4)45-33(5,6)7)37-32(42)44-20-23-12-10-9-11-13-23/h9-15,21-22,24-26,28H,8,16-20H2,1-7H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/b15-14+/t22?,24-,25+,26+,28-/m0/s1
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n/an/a 880n/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
Replicase polyprotein 1ab


(HCoV-229E)
BDBM429365
PNG
(med.21724, Compound 38)
Show SMILES CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)CC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)OC(C)(C)C
Show InChI InChI=1S/C34H51N3O8/c1-8-43-29(39)15-14-27(19-25-16-17-35-31(25)40)36-32(41)26(18-22(2)3)20-28(38)30(23(4)45-34(5,6)7)37-33(42)44-21-24-12-10-9-11-13-24/h9-15,22-23,25-27,30H,8,16-21H2,1-7H3,(H,35,40)(H,36,41)(H,37,42)/b15-14+/t23?,25-,26+,27+,30-/m0/s1
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n/an/a 880n/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
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509858
PNG
(US11124497, Compound 385 (Isomer 1) | US11312704, ...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C12CC(C1)C2 |r|
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US Patent
n/an/a<2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509859
PNG
(US11124497, Compound 385 (Isomer 2) | US11312704, ...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C12CC(C1)C2 |r|
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n/an/a<2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM550889
PNG
(US11312704, Compound 389A Isomer 1)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1CC2(C[C@@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)CCCCC2 |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509863
PNG
(US11124497, Compound 393 | US11312704, Compound 39...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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n/an/a<2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM550892
PNG
(US11312704, Compound 395 Isomer 1 | US11472793, Co...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1CC(C)(C)C[C@@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509864
PNG
(US11124497, Compound 395 (Isomer 1) | US11312704, ...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1CC(C)(C)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509866
PNG
(US11124497, Compound 397 | US11312704, Compound 39...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509866
PNG
(US11124497, Compound 397 | US11312704, Compound 39...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1CC2(CC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509868
PNG
(US11124497, Compound 401 | US11312704, Compound 40...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1CC2(CCCC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509869
PNG
(US11124497, Compound 401 (Isomer 1) | US11124497, ...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N1C[C@@]2(CCCC2)C[C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509871
PNG
(US11124497, Compound 405 | US11312704, Compound 40...)
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#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509872
PNG
(US11124497, Compound 407 | US11312704, Compound 40...)
Show SMILES CO[C@@H]1C[C@H](N(C1)C(=O)c1cc2c(OC)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509873
PNG
(US11124497, Compound 433 | US11312704, Compound 43...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)NC(C#N)c1cccnc1 |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509908
PNG
(US11124497, Compound 491 | US11124497, Compound 49...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509910
PNG
(US11124497, Compound 491 (Isomer 2) | US11124497, ...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509908
PNG
(US11124497, Compound 491 | US11124497, Compound 49...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509915
PNG
(US11124497, Compound 497 (Isomer 2) | US11312704, ...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)(F)F)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509916
PNG
(US11124497, Compound 499 | US11312704, Compound 49...)
Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](C1CC2CC2C1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509920
PNG
(US11124497, Compound 507 (Isomer 1.2) | US11124497...)
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@H](NCc1ccccc1)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509919
PNG
(US11124497, Compound 507 (Isomer 1.1) | US11124497...)
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@@H](NCc1ccccc1)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509920
PNG
(US11124497, Compound 507 (Isomer 1.2) | US11124497...)
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@H](NCc1ccccc1)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509919
PNG
(US11124497, Compound 507 (Isomer 1.1) | US11124497...)
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@@H](NCc1ccccc1)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509923
PNG
(US11124497, Compound 509 | US11312704, Compound 50...)
Show SMILES CC(C)C[C@H](NC(=O)c1cc2c(OC(F)F)cccc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509924
PNG
(US11124497, Compound 511 | US11312704, Compound 51...)
Show SMILES CCNC(C#N)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1 |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509925
PNG
(US11124497, Compound 511 (Isomer 1) | US11312704, ...)
Show SMILES CCN[C@H](C#N)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1 |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509926
PNG
(US11124497, Compound 511 (Isomer 2) | US11312704, ...)
Show SMILES CCN[C@@H](C#N)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC(C)C)NC(=O)c1cc2c(OC)cccc2[nH]1 |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509929
PNG
(US11124497, Compound 515 | US11312704, Compound 51...)
Show SMILES O=C(N[C@@H](C[C@@H]1CCNC1=O)C#N)[C@H](CC1CC1)NC(=O)c1cc2c(OCCN3CCOCC3)cccc2[nH]1 |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509930
PNG
(US11124497, Compound 519 | US11312704, Compound 51...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
Replicase polyprotein 1ab


(HCoV-229E)
BDBM509931
PNG
(US11124497, Compound 531 | US11312704, Compound 53...)
Show SMILES Clc1cccc2cc([nH]c12)C(=O)N[C@@H](CC1CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N |r|
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TBA

Assay Description
Compounds were assayed using standard methods against multiple coronaviral strains, including HCoV 229E and OC43 strains. The antiviral activity of c...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23B63CF
More data for this
Ligand-Target Pair
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