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Compile Data Set for Download or QSAR

Found 101 hits Enz. Inhib. hit(s) with Target = '3C-like protease' AND taxid = 11120   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3C-like protease


(Avian infectious bronchitis virus)
BDBM32834
PNG
((4-methoxyphenyl)-(2-methylsulfanyl-6,7-dihydro-[1...)
Show SMILES COc1ccc(cc1)C(=O)n1c(SC)nc2cc3OCCOc3cc12
Show InChI InChI=1S/C18H16N2O4S/c1-22-12-5-3-11(4-6-12)17(21)20-14-10-16-15(23-7-8-24-16)9-13(14)19-18(20)25-2/h3-6,9-10H,7-8H2,1-2H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47919
PNG
(Furan-2-carboxylic acid (4-sec-butyl-phenyl)-(cycl...)
Show SMILES CCC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
Show InChI InChI=1S/C27H31N3O3/c1-3-19(2)20-12-14-23(15-13-20)30(27(32)24-11-7-17-33-24)25(21-8-6-16-28-18-21)26(31)29-22-9-4-5-10-22/h6-8,11-19,22,25H,3-5,9-10H2,1-2H3,(H,29,31)
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n/an/a 2.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47908
PNG
(2-chloranyl-1-[3-(3,4-dimethoxyphenyl)-5-thiophen-...)
Show SMILES COc1ccc(cc1OC)C1CC(=NN1C(=O)CCl)c1cccs1
Show InChI InChI=1S/C17H17ClN2O3S/c1-22-14-6-5-11(8-15(14)23-2)13-9-12(16-4-3-7-24-16)19-20(13)17(21)10-18/h3-8,13H,9-10H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47907
PNG
(1-[3-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-...)
Show SMILES COc1cc(ccc1OC(F)F)C1CC(=NN1C(=O)CCl)c1cccs1
Show InChI InChI=1S/C17H15ClF2N2O3S/c1-24-14-7-10(4-5-13(14)25-17(19)20)12-8-11(15-3-2-6-26-15)21-22(12)16(23)9-18/h2-7,12,17H,8-9H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47851
PNG
(2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-2,4,6-trime...)
Show SMILES Cc1cc(C)c(N(C(C(=O)NC(C)(C)C)c2ccsc2)C(=O)Cn2nnc3ccccc23)c(C)c1
Show InChI InChI=1S/C27H31N5O2S/c1-17-13-18(2)24(19(3)14-17)32(23(33)15-31-22-10-8-7-9-21(22)29-30-31)25(20-11-12-35-16-20)26(34)28-27(4,5)6/h7-14,16,25H,15H2,1-6H3,(H,28,34)
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n/an/a 2.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47916
PNG
((4-ethyl-2-oxidanylidene-chromen-7-yl) furan-2-car...)
Show SMILES CCc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
Show InChI InChI=1S/C16H12O5/c1-2-10-8-15(17)21-14-9-11(5-6-12(10)14)20-16(18)13-4-3-7-19-13/h3-9H,2H2,1H3
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n/an/a 2.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM32909
PNG
((4-methyl-2-oxidanylidene-chromen-7-yl) furan-2-ca...)
Show SMILES Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12
Show InChI InChI=1S/C15H10O5/c1-9-7-14(16)20-13-8-10(4-5-11(9)13)19-15(17)12-3-2-6-18-12/h2-8H,1H3
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n/an/a 3.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47911
PNG
(2-chloranyl-1-[(3Z)-3-indol-3-ylidene-5-(4-methoxy...)
Show SMILES COc1ccc(cc1)C1N(NC(C1=O)c1c[nH]c2ccccc12)C(=O)CCl
Show InChI InChI=1S/C20H18ClN3O3/c1-27-13-8-6-12(7-9-13)19-20(26)18(23-24(19)17(25)10-21)15-11-22-16-5-3-2-4-14(15)16/h2-9,11,18-19,22-23H,10H2,1H3
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n/an/a 3.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47874
PNG
(2-keto-N-[2-(2-methoxyphenoxy)ethyl]-1H-quinoline-...)
Show SMILES COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C19H18N2O4/c1-24-16-8-4-5-9-17(16)25-11-10-20-19(23)14-12-18(22)21-15-7-3-2-6-13(14)15/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47862
PNG
(2-(1-benzotriazolyl)-1-(4-bromophenyl)ethanone | 2...)
Show SMILES Brc1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C14H10BrN3O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8H,9H2
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47893
PNG
(2-chloranyl-1-[3-(4-methylphenyl)-5-thiophen-2-yl-...)
Show SMILES Cc1ccc(cc1)C1CC(=NN1C(=O)CCl)c1cccs1
Show InChI InChI=1S/C16H15ClN2OS/c1-11-4-6-12(7-5-11)14-9-13(15-3-2-8-21-15)18-19(14)16(20)10-17/h2-8,14H,9-10H2,1H3
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47887
PNG
(2-Chloro-1-[4-(2-ethyl-7-methyl-5,6,7,8-tetrahydro...)
Show SMILES CCc1nc(N2CCN(CC2)C(=O)CCl)c2c3CCC(C)Cc3sc2n1
Show InChI InChI=1S/C19H25ClN4OS/c1-3-15-21-18(24-8-6-23(7-9-24)16(25)11-20)17-13-5-4-12(2)10-14(13)26-19(17)22-15/h12H,3-11H2,1-2H3
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n/an/a 4.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47889
PNG
(1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethox...)
Show SMILES CCOc1ccc2N(CC3COc4ccccc4O3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C19H17NO5/c1-2-23-12-7-8-15-14(9-12)18(21)19(22)20(15)10-13-11-24-16-5-3-4-6-17(16)25-13/h3-9,13H,2,10-11H2,1H3
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n/an/a 4.29E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47870
PNG
(2-chloranyl-1-[2,5-dimethyl-1-(3-nitrophenyl)pyrro...)
Show SMILES Cc1cc(C(=O)CCl)c(C)n1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H13ClN2O3/c1-9-6-13(14(18)8-15)10(2)16(9)11-4-3-5-12(7-11)17(19)20/h3-7H,8H2,1-2H3
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n/an/a 4.59E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47843
PNG
(1-(5-phenyl-2-pyrrolidin-1-yl-1H-pyrrol-3-yl)ethan...)
Show SMILES CC(=O)c1cc([nH]c1N1CCCC1)-c1ccccc1
Show InChI InChI=1S/C16H18N2O/c1-12(19)14-11-15(13-7-3-2-4-8-13)17-16(14)18-9-5-6-10-18/h2-4,7-8,11,17H,5-6,9-10H2,1H3
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n/an/a 4.63E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47848
PNG
(4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-...)
Show SMILES Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C24H27N3O4S/c1-15-13-16(2)18(4)23(17(15)3)32(30,31)27-11-9-26(10-12-27)24(29)20-14-22(28)25-21-8-6-5-7-19(20)21/h5-8,13-14H,9-12H2,1-4H3,(H,25,28)
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n/an/a 4.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47926
PNG
(2-(3-amino-3-oxopropyl)-3-(4-chlorobenzoyl)-2H-ind...)
Show SMILES NC(=O)CCn1c(C(=O)c2ccc(Cl)cc2)c2ccccc2[n+]1[O-]
Show InChI InChI=1S/C17H14ClN3O3/c18-12-7-5-11(6-8-12)17(23)16-13-3-1-2-4-14(13)21(24)20(16)10-9-15(19)22/h1-8H,9-10H2,(H2,19,22)
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47871
PNG
(4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]car...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CC1)C(=O)c1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C21H18F3N3O2/c22-21(23,24)14-4-3-5-15(12-14)26-8-10-27(11-9-26)20(29)17-13-19(28)25-18-7-2-1-6-16(17)18/h1-7,12-13H,8-11H2,(H,25,28)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47858
PNG
(2-(1-benzotriazolyl)-N-[(3,4,5-trimethoxyphenyl)me...)
Show SMILES COc1cc(C=NNC(=O)Cn2nnc3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C18H19N5O4/c1-25-15-8-12(9-16(26-2)18(15)27-3)10-19-21-17(24)11-23-14-7-5-4-6-13(14)20-22-23/h4-10H,11H2,1-3H3,(H,21,24)
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47905
PNG
(2-chloranyl-1-[3-(furan-2-yl)-5-(5-methylfuran-2-y...)
Show SMILES Cc1ccc(o1)C1=NN(C(C1)c1ccco1)C(=O)CCl
Show InChI InChI=1S/C14H13ClN2O3/c1-9-4-5-12(20-9)10-7-11(13-3-2-6-19-13)17(16-10)14(18)8-15/h2-6,11H,7-8H2,1H3
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47546
PNG
(2-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-4-...)
Show SMILES OC(=O)c1c(NC(=O)\C=C\c2cccs2)scc1-c1ccccc1
Show InChI InChI=1S/C18H13NO3S2/c20-15(9-8-13-7-4-10-23-13)19-17-16(18(21)22)14(11-24-17)12-5-2-1-3-6-12/h1-11H,(H,19,20)(H,21,22)/b9-8+
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47918
PNG
(2-furancarboxylic acid [4-chloro-2-(5-methyl-1,3-d...)
Show SMILES CC1CCc2c(O)n(c(O)c2C1)-c1cc(Cl)ccc1OC(=O)c1ccco1
Show InChI InChI=1S/C20H18ClNO5/c1-11-4-6-13-14(9-11)19(24)22(18(13)23)15-10-12(21)5-7-16(15)27-20(25)17-3-2-8-26-17/h2-3,5,7-8,10-11,23-24H,4,6,9H2,1H3
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47921
PNG
(Furan-2-carboxylic acid (cyclopentylcarbamoyl-pyri...)
Show SMILES CC(C)c1ccc(cc1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
Show InChI InChI=1S/C26H29N3O3/c1-18(2)19-11-13-22(14-12-19)29(26(31)23-10-6-16-32-23)24(20-7-5-15-27-17-20)25(30)28-21-8-3-4-9-21/h5-7,10-18,21,24H,3-4,8-9H2,1-2H3,(H,28,30)
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n/an/a 5.93E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47863
PNG
(2-(4-acetamido-N-[2-(1-benzotriazolyl)-1-oxoethyl]...)
Show SMILES CCC(C)(C)NC(=O)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)c1cccn1C
Show InChI InChI=1S/C28H33N7O3/c1-6-28(3,4)30-27(38)26(24-12-9-17-33(24)5)35(21-15-13-20(14-16-21)29-19(2)36)25(37)18-34-23-11-8-7-10-22(23)31-32-34/h7-17,26H,6,18H2,1-5H3,(H,29,36)(H,30,38)
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n/an/a 6.29E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47838
PNG
(4-chlorobenzoic acid 3-pyridinyl ester;hydrochlori...)
Show SMILES Clc1ccc(cc1)C(=O)Oc1cccnc1
Show InChI InChI=1S/C12H8ClNO2/c13-10-5-3-9(4-6-10)12(15)16-11-2-1-7-14-8-11/h1-8H
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n/an/a 6.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47890
PNG
(MLS001215951 | N-[5-ethyl-1-(2-morpholin-4-ylethyl...)
Show SMILES CCc1ccc2N(CCN3CCOCC3)C(=O)C(NC(C)=O)c2c1
Show InChI InChI=1S/C18H25N3O3/c1-3-14-4-5-16-15(12-14)17(19-13(2)22)18(23)21(16)7-6-20-8-10-24-11-9-20/h4-5,12,17H,3,6-11H2,1-2H3,(H,19,22)
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n/an/a 6.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47872
PNG
(4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-1...)
Show SMILES Cc1cccc(N2CCN(CC2)C(=O)c2cc(=O)[nH]c3ccccc23)c1C
Show InChI InChI=1S/C22H23N3O2/c1-15-6-5-9-20(16(15)2)24-10-12-25(13-11-24)22(27)18-14-21(26)23-19-8-4-3-7-17(18)19/h3-9,14H,10-13H2,1-2H3,(H,23,26)
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n/an/a 6.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47913
PNG
(MLS001030320 | N-(4-nitro-1,2,5-oxadiazol-3-yl)-2-...)
Show SMILES [O-][N+](=O)c1nonc1NC(=O)CSc1ccccn1
Show InChI InChI=1S/C9H7N5O4S/c15-6(5-19-7-3-1-2-4-10-7)11-8-9(14(16)17)13-18-12-8/h1-4H,5H2,(H,11,12,15)
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n/an/a 7.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47857
PNG
(2-furancarboxylic acid [4-bromo-2-[(E)-3-(2-fluoro...)
Show SMILES Fc1ccccc1\C=C\C(=O)c1cc(Br)ccc1OC(=O)c1ccco1
Show InChI InChI=1S/C20H12BrFO4/c21-14-8-10-18(26-20(24)19-6-3-11-25-19)15(12-14)17(23)9-7-13-4-1-2-5-16(13)22/h1-12H/b9-7+
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n/an/a 7.12E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47866
PNG
(1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxa...)
Show SMILES O=Cc1cn(Cc2ccccc2)nc1-c1cccnc1
Show InChI InChI=1S/C16H13N3O/c20-12-15-11-19(10-13-5-2-1-3-6-13)18-16(15)14-7-4-8-17-9-14/h1-9,11-12H,10H2
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n/an/a 7.21E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47892
PNG
(MLS001215987 | N-[5-bromanyl-1-(2-morpholin-4-ylet...)
Show SMILES CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(Br)cc12
Show InChI InChI=1S/C16H20BrN3O3/c1-11(21)18-15-13-10-12(17)2-3-14(13)20(16(15)22)5-4-19-6-8-23-9-7-19/h2-3,10,15H,4-9H2,1H3,(H,18,21)
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n/an/a 7.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47845
PNG
(2-[(2-Benzotriazol-1-yl-acetyl)-furan-2-ylmethyl-a...)
Show SMILES COc1cccc(c1)C(N(Cc1ccco1)C(=O)Cn1nnc2ccccc12)C(=O)NCc1ccco1
Show InChI InChI=1S/C27H25N5O5/c1-35-20-8-4-7-19(15-20)26(27(34)28-16-21-9-5-13-36-21)31(17-22-10-6-14-37-22)25(33)18-32-24-12-3-2-11-23(24)29-30-32/h2-15,26H,16-18H2,1H3,(H,28,34)
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n/an/a 7.76E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47850
PNG
(1-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-4-methoxyan...)
Show SMILES COc1ccc(cc1)N(C(=O)Cn1nnc2ccccc12)C1(CCCCC1)C(=O)NC1CCCC1
Show InChI InChI=1S/C27H33N5O3/c1-35-22-15-13-21(14-16-22)32(25(33)19-31-24-12-6-5-11-23(24)29-30-31)27(17-7-2-8-18-27)26(34)28-20-9-3-4-10-20/h5-6,11-16,20H,2-4,7-10,17-19H2,1H3,(H,28,34)
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n/an/a 7.89E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47855
PNG
(2-furancarboxylic acid [4-bromo-2-[(E)-3-(2-methox...)
Show SMILES COc1ccccc1\C=C\C(=O)c1cc(Br)ccc1OC(=O)c1ccco1
Show InChI InChI=1S/C21H15BrO5/c1-25-18-6-3-2-5-14(18)8-10-17(23)16-13-15(22)9-11-19(16)27-21(24)20-7-4-12-26-20/h2-13H,1H3/b10-8+
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n/an/a 8.94E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47895
PNG
(MLS001215963 | N-[5-fluoranyl-1-(2-morpholin-4-yle...)
Show SMILES CC(=O)NC1C(=O)N(CCN2CCOCC2)c2ccc(F)cc12
Show InChI InChI=1S/C16H20FN3O3/c1-11(21)18-15-13-10-12(17)2-3-14(13)20(16(15)22)5-4-19-6-8-23-9-7-19/h2-3,10,15H,4-9H2,1H3,(H,18,21)
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n/an/a 9.10E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47923
PNG
(2-(4-acetamido-N-[2-(1-benzotriazolyl)-1-oxoethyl]...)
Show SMILES COc1ccc(cc1)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C30H32N6O5/c1-20(37)32-22-11-13-23(14-12-22)36(28(38)19-35-27-8-4-3-7-26(27)33-34-35)29(21-9-15-24(40-2)16-10-21)30(39)31-18-25-6-5-17-41-25/h3-4,7-16,25,29H,5-6,17-19H2,1-2H3,(H,31,39)(H,32,37)
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n/an/a 9.35E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47924
PNG
(2-(3-amino-3-oxopropyl)-3-(4-methylbenzoyl)-2H-ind...)
Show SMILES Cc1ccc(cc1)C(=O)c1n(CCC(N)=O)[n+]([O-])c2ccccc12
Show InChI InChI=1S/C18H17N3O3/c1-12-6-8-13(9-7-12)18(23)17-14-4-2-3-5-15(14)21(24)20(17)11-10-16(19)22/h2-9H,10-11H2,1H3,(H2,19,22)
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n/an/a 9.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47901
PNG
((5E)-1-(2-fluorophenyl)-5-(1H-indol-3-ylmethylene)...)
Show SMILES Fc1ccccc1N1C(=O)NC(=O)C(=Cc2c[nH]c3ccccc23)C1=O
Show InChI InChI=1S/C19H12FN3O3/c20-14-6-2-4-8-16(14)23-18(25)13(17(24)22-19(23)26)9-11-10-21-15-7-3-1-5-12(11)15/h1-10,21H,(H,22,24,26)
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n/an/a 9.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47909
PNG
(1-(N-(2-chloro-1-oxoethyl)anilino)-3-phenylurea | ...)
Show SMILES ClCC(=O)N(NC(=O)Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H14ClN3O2/c16-11-14(20)19(13-9-5-2-6-10-13)18-15(21)17-12-7-3-1-4-8-12/h1-10H,11H2,(H2,17,18,21)
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n/an/a 9.64E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47891
PNG
(1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-metho...)
Show SMILES COc1ccc2N(CC3COc4ccccc4O3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C18H15NO5/c1-22-11-6-7-14-13(8-11)17(20)18(21)19(14)9-12-10-23-15-4-2-3-5-16(15)24-12/h2-8,12H,9-10H2,1H3
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n/an/a 9.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47925
PNG
(3-(4-amino-3,5-dichlorobenzoyl)-2-(3-amino-3-oxopr...)
Show SMILES NC(=O)CCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccccc2[n+]1[O-]
Show InChI InChI=1S/C17H14Cl2N4O3/c18-11-7-9(8-12(19)15(11)21)17(25)16-10-3-1-2-4-13(10)23(26)22(16)6-5-14(20)24/h1-4,7-8H,5-6,21H2,(H2,20,24)
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n/an/a 9.81E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47900
PNG
(1-(5-bromo-2-fluorophenyl)-2-(chloroacetyl)-6,7-di...)
Show SMILES COc1cc2CCN(C(c3cc(Br)ccc3F)c2cc1OC)C(=O)CCl
Show InChI InChI=1S/C19H18BrClFNO3/c1-25-16-7-11-5-6-23(18(24)10-21)19(13(11)9-17(16)26-2)14-8-12(20)3-4-15(14)22/h3-4,7-9,19H,5-6,10H2,1-2H3
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n/an/a 9.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47859
PNG
(2-(1-benzotriazolyl)-1-(4-chlorophenyl)ethanone | ...)
Show SMILES Clc1ccc(cc1)C(=O)Cn1nnc2ccccc12
Show InChI InChI=1S/C14H10ClN3O/c15-11-7-5-10(6-8-11)14(19)9-18-13-4-2-1-3-12(13)16-17-18/h1-8H,9H2
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n/an/a 9.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47876
PNG
(4-(4-phenylpiperazin-1-yl)carbonyl-1H-quinolin-2-o...)
Show SMILES O=C(N1CCN(CC1)c1ccccc1)c1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
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n/an/a 9.95E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM37254
PNG
(10-phenothiazinecarbothioic acid S-(5-methyl-1,3,4...)
Show SMILES Cc1nnc(SC(=O)N2c3ccccc3Sc3ccccc23)s1
Show InChI InChI=1S/C16H11N3OS3/c1-10-17-18-15(21-10)23-16(20)19-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)19/h2-9H,1H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47852
PNG
(2-[(2-Benzotriazol-1-yl-acetyl)-cyclopropyl-amino]...)
Show SMILES COc1cccc(c1)C(N(C1CC1)C(=O)Cn1nnc2ccccc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C26H24FN5O3/c1-35-21-6-4-5-17(15-21)25(26(34)28-19-11-9-18(27)10-12-19)32(20-13-14-20)24(33)16-31-23-8-3-2-7-22(23)29-30-31/h2-12,15,20,25H,13-14,16H2,1H3,(H,28,34)
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n/an/a 1.05E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47873
PNG
(2-chloranyl-N-(1-ethanoylindol-3-yl)-N-(4-nitrophe...)
Show SMILES CC(=O)n1cc(N(C(=O)CCl)c2ccc(cc2)[N+]([O-])=O)c2ccccc12
Show InChI InChI=1S/C18H14ClN3O4/c1-12(23)20-11-17(15-4-2-3-5-16(15)20)21(18(24)10-19)13-6-8-14(9-7-13)22(25)26/h2-9,11H,10H2,1H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47875
PNG
(1,5-Diisopropyl-3,7-bis-(2-nitro-benzoyl)-3,7-diaz...)
Show SMILES CC(C)C12CN(CC(CN(C1)C(=O)c1ccccc1[N+]([O-])=O)(C(C)C)C2=O)C(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C27H30N4O7/c1-17(2)26-13-28(23(32)19-9-5-7-11-21(19)30(35)36)15-27(18(3)4,25(26)34)16-29(14-26)24(33)20-10-6-8-12-22(20)31(37)38/h5-12,17-18H,13-16H2,1-4H3
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n/an/a 1.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47902
PNG
(1-[(2E)-3-phenylprop-2-enyl]-1H-indole-2,3-dione |...)
Show SMILES O=C1N(C\C=C\c2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C17H13NO2/c19-16-14-10-4-5-11-15(14)18(17(16)20)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
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n/an/a 1.12E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
3C-like protease


(Avian infectious bronchitis virus)
BDBM47922
PNG
(2-(4-acetamido-N-[2-(1-benzotriazolyl)-1-oxoethyl]...)
Show SMILES COc1cccc(c1)C(N(C(=O)Cn1nnc2ccccc12)c1ccc(NC(C)=O)cc1)C(=O)NCC1CCCO1
Show InChI InChI=1S/C30H32N6O5/c1-20(37)32-22-12-14-23(15-13-22)36(28(38)19-35-27-11-4-3-10-26(27)33-34-35)29(21-7-5-8-24(17-21)40-2)30(39)31-18-25-9-6-16-41-25/h3-5,7-8,10-15,17,25,29H,6,9,16,18-19H2,1-2H3,(H,31,39)(H,32,37)
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n/an/a 1.12E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)

More data for this
Ligand-Target Pair
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