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PubChem AID 2137

Compile data set for download or QSAR
Found 63 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54844
PNG
(3-amino-5-(2,6-dimethylphenyl)imino-4-(morpholine-...)
Show SMILES Cc1cccc(NC(=O)C2=C(N)C(C(=O)N3CCOCC3)\C(S2)=N\c2c(C)cccc2C)c1
Show InChI InChI=1S/C25H28N4O3S/c1-15-6-4-9-18(14-15)27-23(30)22-20(26)19(25(31)29-10-12-32-13-11-29)24(33-22)28-21-16(2)7-5-8-17(21)3/h4-9,14,19H,10-13,26H2,1-3H3,(H,27,30)/b28-24-
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n/an/an/an/a 1.61E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54884
PNG
(1-(10-phenothiazinyl)-2-(thiophen-2-ylthio)ethanon...)
Show SMILES O=C(CSc1cccs1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C18H13NOS3/c20-17(12-22-18-10-5-11-21-18)19-13-6-1-3-8-15(13)23-16-9-4-2-7-14(16)19/h1-11H,12H2
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n/an/an/an/a 3.38E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54886
PNG
(1-(5-chloranyl-2-ethoxy-phenyl)sulfonyl-5,6-dimeth...)
Show SMILES CCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc12
Show InChI InChI=1S/C17H17ClN2O3S/c1-4-23-16-6-5-13(18)9-17(16)24(21,22)20-10-19-14-7-11(2)12(3)8-15(14)20/h5-10H,4H2,1-3H3
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n/an/an/an/a 1.26E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54863
PNG
(3-(phenoxymethyl)-N-(2,4,6-trimethylphenyl)-1-benz...)
Show SMILES Cc1cc(C)c(NC(=O)c2oc3ccccc3c2COc2ccccc2)c(C)c1
Show InChI InChI=1S/C25H23NO3/c1-16-13-17(2)23(18(3)14-16)26-25(27)24-21(15-28-19-9-5-4-6-10-19)20-11-7-8-12-22(20)29-24/h4-14H,15H2,1-3H3,(H,26,27)
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n/an/an/an/a 9.88E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM41016
PNG
(2-(3,4-dimethoxyphenyl)-4,5-bis(2-thienyl)-1H-imid...)
Show SMILES COc1ccc(cc1OC)-c1nc(-c2cccs2)c([nH]1)-c1cccs1
Show InChI InChI=1S/C19H16N2O2S2/c1-22-13-8-7-12(11-14(13)23-2)19-20-17(15-5-3-9-24-15)18(21-19)16-6-4-10-25-16/h3-11H,1-2H3,(H,20,21)
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n/an/an/an/a 5.93E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54887
PNG
(9-carbazolyl-(4-methylphenyl)methanone | BRD-K7126...)
Show SMILES Cc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C20H15NO/c1-14-10-12-15(13-11-14)20(22)21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-13H,1H3
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n/an/an/an/a 2.89E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM41294
PNG
(2-[(3-allyl-4-keto-5,5-dimethyl-6H-benzo[h]quinazo...)
Show SMILES CC1(C)Cc2ccccc2-c2nc(SCC#N)n(CC=C)c(=O)c12
Show InChI InChI=1S/C19H19N3OS/c1-4-10-22-17(23)15-16(21-18(22)24-11-9-20)14-8-6-5-7-13(14)12-19(15,2)3/h4-8H,1,10-12H2,2-3H3
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n/an/an/an/a 1.01E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54897
PNG
(2-(4-methoxyphenyl)sulfanyl-1-phenothiazin-10-yl-e...)
Show SMILES COc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc23)cc1
Show InChI InChI=1S/C21H17NO2S2/c1-24-15-10-12-16(13-11-15)25-14-21(23)22-17-6-2-4-8-19(17)26-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3
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n/an/an/an/a 6.54E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM50219212
PNG
((10H-phenothiazin-10-yl)(p-tolyl)methanone | CHEMB...)
Show SMILES Cc1ccc(cc1)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H15NOS/c1-14-10-12-15(13-11-14)20(22)21-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)21/h2-13H,1H3
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n/an/an/an/a 4.65E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54899
PNG
(4-[[benzyl(methyl)amino]methyl]-6-isopropyl-7-meth...)
Show SMILES CC(C)c1cc2c(CN(C)Cc3ccccc3)cc(=O)oc2cc1C
Show InChI InChI=1S/C22H25NO2/c1-15(2)19-12-20-18(11-22(24)25-21(20)10-16(19)3)14-23(4)13-17-8-6-5-7-9-17/h5-12,15H,13-14H2,1-4H3
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n/an/an/an/a 9.18E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54900
PNG
(3-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)met...)
Show SMILES Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1
Show InChI InChI=1S/C19H23N3O2S2/c1-10-13(4)26-17-16(10)18(23)22(14-7-5-6-8-14)19(20-17)25-9-15-11(2)21-24-12(15)3/h14H,5-9H2,1-4H3
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n/an/an/an/a 3.13E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54851
PNG
(3-(4-bromophenyl)-1-(4-hydroxybutylamino)-2-phenyl...)
Show SMILES CCCCCCC(O)(C(CNCCCCO)c1ccccc1)c1ccc(Br)cc1
Show InChI InChI=1S/C25H36BrNO2/c1-2-3-4-8-17-25(29,22-13-15-23(26)16-14-22)24(20-27-18-9-10-19-28)21-11-6-5-7-12-21/h5-7,11-16,24,27-29H,2-4,8-10,17-20H2,1H3
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n/an/an/an/a 3.97E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54857
PNG
(3-[4-[(Z)-3-(4-bromophenyl)-3-keto-prop-1-enyl]-3-...)
Show SMILES Cc1ccc(cc1)-c1nn(CCC(O)=O)cc1\C=C/C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C22H19BrN2O3/c1-15-2-4-17(5-3-15)22-18(14-25(24-22)13-12-21(27)28)8-11-20(26)16-6-9-19(23)10-7-16/h2-11,14H,12-13H2,1H3,(H,27,28)/b11-8-
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n/an/an/an/a 3.53E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54860
PNG
(BRD-K08829872-001-04-6 | N-(3-chlorophenyl)-2-[[2-...)
Show SMILES Clc1ccc(cc1)-c1nc(SCC(=O)Nc2cccc(Cl)c2)[nH]c(=O)n1
Show InChI InChI=1S/C17H12Cl2N4O2S/c18-11-6-4-10(5-7-11)15-21-16(25)23-17(22-15)26-9-14(24)20-13-3-1-2-12(19)8-13/h1-8H,9H2,(H,20,24)(H,21,22,23,25)
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n/an/an/an/a 3.54E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54869
PNG
((5Z)-1-methyl-5-[(1-naphthalen-2-ylpyrrol-2-yl)met...)
Show SMILES CN1C(=S)NC(=O)\C(=C\c2cccn2-c2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C20H15N3O2S/c1-22-19(25)17(18(24)21-20(22)26)12-15-7-4-10-23(15)16-9-8-13-5-2-3-6-14(13)11-16/h2-12H,1H3,(H,21,24,26)/b17-12-
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n/an/an/an/a 5.42E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54875
PNG
(2-(4-phenyl-1-piperazinyl)-4-(trifluoromethyl)-6,7...)
Show SMILES FC(F)(F)c1nc(nc2CCCCCc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H23F3N4/c21-20(22,23)18-16-9-5-2-6-10-17(16)24-19(25-18)27-13-11-26(12-14-27)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2
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n/an/an/an/a 1.73E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54893
PNG
(9-carbazolyl-[4-(dimethylamino)phenyl]methanone | ...)
Show SMILES CN(C)c1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C21H18N2O/c1-22(2)16-13-11-15(12-14-16)21(24)23-19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-14H,1-2H3
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n/an/an/an/a 4.10E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54895
PNG
(2-[[4-(4-nitroanilino)-6-(1-pyrrolidinyl)-1,3,5-tr...)
Show SMILES OCCNc1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(n1)N1CCCC1
Show InChI InChI=1S/C15H19N7O3/c23-10-7-16-13-18-14(20-15(19-13)21-8-1-2-9-21)17-11-3-5-12(6-4-11)22(24)25/h3-6,23H,1-2,7-10H2,(H2,16,17,18,19,20)
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n/an/an/an/a 1.64E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54848
PNG
(BRD-A72194916-001-04-6 | N,N-diethylcarbamodithioi...)
Show SMILES CCN(CC)C(=S)SC(C)C(=O)c1cc(Br)ccc1O
Show InChI InChI=1S/C14H18BrNO2S2/c1-4-16(5-2)14(19)20-9(3)13(18)11-8-10(15)6-7-12(11)17/h6-9,17H,4-5H2,1-3H3
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n/an/an/an/a 8.37E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54855
PNG
((4-benzhydrylpiperazin-1-yl)-(5-methoxy-3-methyl-1...)
Show SMILES COc1ccc2oc(C(=O)N3CCN(CC3)C(c3ccccc3)c3ccccc3)c(C)c2c1
Show InChI InChI=1S/C28H28N2O3/c1-20-24-19-23(32-2)13-14-25(24)33-27(20)28(31)30-17-15-29(16-18-30)26(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,26H,15-18H2,1-2H3
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n/an/an/an/a 2.49E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54859
PNG
(5-ethyl-2-(2-thenoylamino)-4-(2-thienyl)thiophene-...)
Show SMILES CCOC(=O)c1c(NC(=O)c2cccs2)sc(CC)c1-c1cccs1
Show InChI InChI=1S/C18H17NO3S3/c1-3-11-14(12-7-5-9-23-12)15(18(21)22-4-2)17(25-11)19-16(20)13-8-6-10-24-13/h5-10H,3-4H2,1-2H3,(H,19,20)
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n/an/an/an/a 2.18E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54867
PNG
((4-methyl-1-piperidinyl)-(10-phenothiazinyl)methan...)
Show SMILES CC1CCN(CC1)C(=O)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H20N2OS/c1-14-10-12-20(13-11-14)19(22)21-15-6-2-4-8-17(15)23-18-9-5-3-7-16(18)21/h2-9,14H,10-13H2,1H3
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n/an/an/an/a 1.50E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54871
PNG
(2-(2-chlorobenzyl)-6-[(E)-2-(p-tolyl)vinyl]pyridaz...)
Show SMILES Cc1ccc(\C=C\c2ccc(=O)n(Cc3ccccc3Cl)n2)cc1
Show InChI InChI=1S/C20H17ClN2O/c1-15-6-8-16(9-7-15)10-11-18-12-13-20(24)23(22-18)14-17-4-2-3-5-19(17)21/h2-13H,14H2,1H3/b11-10+
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n/an/an/an/a 1.42E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54872
PNG
(2-[(2,6-dichlorobenzyl)thio]-5-[(E)-styryl]-1,3,4-...)
Show SMILES Clc1cccc(Cl)c1CSc1nnc(\C=C\c2ccccc2)o1
Show InChI InChI=1S/C17H12Cl2N2OS/c18-14-7-4-8-15(19)13(14)11-23-17-21-20-16(22-17)10-9-12-5-2-1-3-6-12/h1-10H,11H2/b10-9+
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n/an/an/an/a 4.39E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54874
PNG
(2-chloranyl-N-[3-cyano-4-(4-methoxyphenyl)sulfanyl...)
Show SMILES COc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1
Show InChI InChI=1S/C21H15ClN2O2S/c1-26-16-7-9-17(10-8-16)27-20-11-6-15(12-14(20)13-23)24-21(25)18-4-2-3-5-19(18)22/h2-12H,1H3,(H,24,25)
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n/an/an/an/a 2.27E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54876
PNG
(9-carbazolyl-(4-chlorophenyl)methanone | BRD-K4771...)
Show SMILES Clc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C19H12ClNO/c20-14-11-9-13(10-12-14)19(22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12H
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n/an/an/an/a 1.82E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54889
PNG
(1-phenothiazin-10-yl-2-(p-tolylthio)ethanone | 2-(...)
Show SMILES Cc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc23)cc1
Show InChI InChI=1S/C21H17NOS2/c1-15-10-12-16(13-11-15)24-14-21(23)22-17-6-2-4-8-19(17)25-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3
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n/an/an/an/a 5.60E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54891
PNG
(1-(10-phenothiazinyl)-2-(phenylthio)ethanone | 1-p...)
Show SMILES O=C(CSc1ccccc1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C20H15NOS2/c22-20(14-23-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2
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n/an/an/an/a 9.12E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54898
PNG
(2-(1-pyrrolidinyl)-3-[3-(trifluoromethyl)phenyl]qu...)
Show SMILES FC(F)(F)c1cccc(c1)-c1cc2ccccc2nc1N1CCCC1
Show InChI InChI=1S/C20H17F3N2/c21-20(22,23)16-8-5-7-14(12-16)17-13-15-6-1-2-9-18(15)24-19(17)25-10-3-4-11-25/h1-2,5-9,12-13H,3-4,10-11H2
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n/an/an/an/a 3.94E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54849
PNG
(5-chloranyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylph...)
Show SMILES CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
Show InChI InChI=1S/C19H23ClN4O5S2/c1-3-14-6-4-5-11-24(14)31(28,29)15-9-7-13(8-10-15)22-18(25)17-16(20)12-21-19(23-17)30(2,26)27/h7-10,12,14H,3-6,11H2,1-2H3,(H,22,25)
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n/an/an/an/a 1.17E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54852
PNG
(2-methyl-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-yli...)
Show SMILES CC(C)(C)NN=C1CC(Oc2ccccc12)c1ccccc1
Show InChI InChI=1S/C19H22N2O/c1-19(2,3)21-20-16-13-18(14-9-5-4-6-10-14)22-17-12-8-7-11-15(16)17/h4-12,18,21H,13H2,1-3H3
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n/an/an/an/a 7.95E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54858
PNG
(4-[4-(2-chlorophenyl)-1-piperazinyl]-5-(4-methoxyp...)
Show SMILES COc1ccc(cc1)-c1csc2ncnc(N3CCN(CC3)c3ccccc3Cl)c12
Show InChI InChI=1S/C23H21ClN4OS/c1-29-17-8-6-16(7-9-17)18-14-30-23-21(18)22(25-15-26-23)28-12-10-27(11-13-28)20-5-3-2-4-19(20)24/h2-9,14-15H,10-13H2,1H3
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n/an/an/an/a 6.68E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54862
PNG
(4-(carbazole-9-carbonyl)benzonitrile | 4-[9-carbaz...)
Show SMILES O=C(c1ccc(cc1)C#N)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C20H12N2O/c21-13-14-9-11-15(12-10-14)20(23)22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12H
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n/an/an/an/a 5.77E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54889
PNG
(1-phenothiazin-10-yl-2-(p-tolylthio)ethanone | 2-(...)
Show SMILES Cc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc23)cc1
Show InChI InChI=1S/C21H17NOS2/c1-15-10-12-16(13-11-15)24-14-21(23)22-17-6-2-4-8-19(17)25-20-9-5-3-7-18(20)22/h2-13H,14H2,1H3
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n/an/an/an/a 7.60E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54894
PNG
(9-carbazolyl-[2-(trifluoromethyl)phenyl]methanone ...)
Show SMILES FC(F)(F)c1ccccc1C(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C20H12F3NO/c21-20(22,23)16-10-4-1-9-15(16)19(25)24-17-11-5-2-7-13(17)14-8-3-6-12-18(14)24/h1-12H
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n/an/an/an/a 6.62E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54846
PNG
(2,5-dimethyl-3-furancarboxylic acid [2-oxo-1-pheny...)
Show SMILES Cc1cc(C(=O)OC(C(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc2)c(C)o1
Show InChI InChI=1S/C22H18F3NO4/c1-13-11-18(14(2)29-13)21(28)30-19(15-7-4-3-5-8-15)20(27)26-17-10-6-9-16(12-17)22(23,24)25/h3-12,19H,1-2H3,(H,26,27)
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n/an/an/an/a 7.09E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54850
PNG
(4-(dimethylamino)-6,10,12a-trihydroxy-1,3,11,12-te...)
Show SMILES CN(C)C1C2CC3C(C(=O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(C(N)=O)C1=O
Show InChI InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,13-15,25,31-32H,7H2,1-3H3,(H2,23,30)
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n/an/an/an/a 419n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54853
PNG
(BRD-A94563302-001-04-8 | N-[4-[3-(3,6-dichloro-9-c...)
Show SMILES CN(C(C)=O)c1ccc(OCC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C24H22Cl2N2O3/c1-15(29)27(2)18-5-7-20(8-6-18)31-14-19(30)13-28-23-9-3-16(25)11-21(23)22-12-17(26)4-10-24(22)28/h3-12,19,30H,13-14H2,1-2H3
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n/an/an/an/a 4.94E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54866
PNG
((4-methoxyphenyl)-[5-(4-methoxyphenyl)thieno[2,3-d...)
Show SMILES COc1ccc(Nc2ncnc3scc(-c4ccc(OC)cc4)c23)cc1
Show InChI InChI=1S/C20H17N3O2S/c1-24-15-7-3-13(4-8-15)17-11-26-20-18(17)19(21-12-22-20)23-14-5-9-16(25-2)10-6-14/h3-12H,1-2H3,(H,21,22,23)
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n/an/an/an/a 5.70E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM41384
PNG
(MLS000042033 | N-[(1S,2R)-1-[5-(2,5-dimethylbenzyl...)
Show SMILES CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cc(C)ccc1C
Show InChI InChI=1S/C21H31N3O5S/c1-8-14(3)17(22-19(25)29-21(5,6)7)18-23-24-20(28-18)30(26,27)12-16-11-13(2)9-10-15(16)4/h9-11,14,17H,8,12H2,1-7H3,(H,22,25)/t14-,17+/m1/s1
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n/an/an/an/a 4.15E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54870
PNG
(2-(4-chlorophenyl)sulfanyl-1-phenothiazin-10-yl-et...)
Show SMILES Clc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc23)cc1
Show InChI InChI=1S/C20H14ClNOS2/c21-14-9-11-15(12-10-14)24-13-20(23)22-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)22/h1-12H,13H2
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n/an/an/an/a 3.10E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54877
PNG
(BRD-K49130511-001-04-7 | N-[5-[(4-chlorophenyl)sul...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1cc(ccc1N1CCCCC1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C24H23ClFN3O3S/c25-18-6-10-20(11-7-18)28-33(31,32)21-12-13-23(29-14-2-1-3-15-29)22(16-21)27-24(30)17-4-8-19(26)9-5-17/h4-13,16,28H,1-3,14-15H2,(H,27,30)
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n/an/an/an/a 4.00E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54878
PNG
(5-[(2,4-dichlorophenoxy)methyl]-1-methyl-3-(triflu...)
Show SMILES Cn1nc(c2cc(COc3ccc(Cl)cc3Cl)sc12)C(F)(F)F
Show InChI InChI=1S/C14H9Cl2F3N2OS/c1-21-13-9(12(20-21)14(17,18)19)5-8(23-13)6-22-11-3-2-7(15)4-10(11)16/h2-5H,6H2,1H3
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n/an/an/an/a 3.63E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54885
PNG
(BRD-K67237401-001-04-0 | N,N-diethylcarbamodithioi...)
Show SMILES CCN(CC)C(=S)SCC(=O)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H23N3O2S2/c1-3-25(4-2)22(28)29-15-18(26)23-21-24-19(16-11-7-5-8-12-16)20(27-21)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3,(H,23,24,26)
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n/an/an/an/a 2.05E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54888
PNG
(4-[4-allyl-5-[(3-methylbenzyl)thio]-1,2,4-triazol-...)
Show SMILES Cc1cc(n(n1)-c1nc(cs1)-c1nnc(SCc2cccc(C)c2)n1CC=C)C(F)(F)F
Show InChI InChI=1S/C21H19F3N6S2/c1-4-8-29-18(26-27-20(29)31-11-15-7-5-6-13(2)9-15)16-12-32-19(25-16)30-17(21(22,23)24)10-14(3)28-30/h4-7,9-10,12H,1,8,11H2,2-3H3
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n/an/an/an/a 4.40E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54892
PNG
(9-carbazolyl-[4-(trifluoromethoxy)phenyl]methanone...)
Show SMILES FC(F)(F)Oc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C20H12F3NO2/c21-20(22,23)26-14-11-9-13(10-12-14)19(25)24-17-7-3-1-5-15(17)16-6-2-4-8-18(16)24/h1-12H
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n/an/an/an/a 6.36E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54896
PNG
(BRD-K90057323-001-04-8 | N'-[3-chloranyl-5-(triflu...)
Show SMILES [O-][N+](=O)c1ccccc1NCCNc1ncc(cc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H12ClF3N4O2/c15-10-7-9(14(16,17)18)8-21-13(10)20-6-5-19-11-3-1-2-4-12(11)22(23)24/h1-4,7-8,19H,5-6H2,(H,20,21)
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n/an/an/an/a 1.04E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54845
PNG
(7-(2-chlorophenyl)-2-(3,5-dimethyl-1-piperidinyl)-...)
Show SMILES CC1CC(C)CN(C1)c1ncc2C(=O)CC(Cc2n1)c1ccccc1Cl
Show InChI InChI=1S/C21H24ClN3O/c1-13-7-14(2)12-25(11-13)21-23-10-17-19(24-21)8-15(9-20(17)26)16-5-3-4-6-18(16)22/h3-6,10,13-15H,7-9,11-12H2,1-2H3
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n/an/an/an/a 2.26E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54847
PNG
(2-(1-iminoisoindolin-2-yl)-2-phenyl-1-(p-tolyl)eth...)
Show SMILES Cc1ccc(cc1)C(=O)C(N1Cc2ccccc2C1=N)c1ccccc1
Show InChI InChI=1S/C23H20N2O/c1-16-11-13-18(14-12-16)22(26)21(17-7-3-2-4-8-17)25-15-19-9-5-6-10-20(19)23(25)24/h2-14,21,24H,15H2,1H3
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n/an/an/an/a 8.38E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM53474
PNG
(1-butyl-2-hydroxy-4-oxo-N-(phenylmethyl)-3-quinoli...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C21H22N2O3/c1-2-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14-15-9-5-4-6-10-15/h4-12,24H,2-3,13-14H2,1H3,(H,22,25)
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM39689
PNG
((4-chlorobenzyl)-[4-(2-furyl)-6-(trifluoromethyl)p...)
Show SMILES FC(F)(F)c1cc(nc(NCc2ccc(Cl)cc2)n1)-c1ccco1
Show InChI InChI=1S/C16H11ClF3N3O/c17-11-5-3-10(4-6-11)9-21-15-22-12(13-2-1-7-24-13)8-14(23-15)16(18,19)20/h1-8H,9H2,(H,21,22,23)
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54879
PNG
(1-(10-phenothiazinyl)-2-(pyridin-4-ylthio)ethanone...)
Show SMILES O=C(CSc1ccncc1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C19H14N2OS2/c22-19(13-23-14-9-11-20-12-10-14)21-15-5-1-3-7-17(15)24-18-8-4-2-6-16(18)21/h1-12H,13H2
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n/an/an/an/a 8.36E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54882
PNG
(9-carbazolyl-(3-methoxyphenyl)methanone | BRD-K586...)
Show SMILES COc1cccc(c1)C(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C20H15NO2/c1-23-15-8-6-7-14(13-15)20(22)21-18-11-4-2-9-16(18)17-10-3-5-12-19(17)21/h2-13H,1H3
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n/an/an/an/a 1.37E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54843
PNG
(5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl...)
Show SMILES CC(C)c1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)NCC2COc3ccccc3O2)cc1
Show InChI InChI=1S/C25H25FN2O5S/c1-16(2)17-7-9-18(10-8-17)28-25(29)21-13-20(11-12-22(21)26)34(30,31)27-14-19-15-32-23-5-3-4-6-24(23)33-19/h3-13,16,19,27H,14-15H2,1-2H3,(H,28,29)
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n/an/an/an/a 3.65E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54854
PNG
(1-(9-carbazolyl)-3-(2,6-dimethylphenoxy)-2-propano...)
Show SMILES Cc1cccc(C)c1OCC(O)Cn1c2ccccc2c2ccccc12
Show InChI InChI=1S/C23H23NO2/c1-16-8-7-9-17(2)23(16)26-15-18(25)14-24-21-12-5-3-10-19(21)20-11-4-6-13-22(20)24/h3-13,18,25H,14-15H2,1-2H3
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n/an/an/an/a 2.93E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54864
PNG
(2-bromanyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothio...)
Show SMILES Brc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCCC1
Show InChI InChI=1S/C18H18BrN3OS/c19-14-8-2-1-7-13(14)17(23)21-18(24)20-15-9-3-4-10-16(15)22-11-5-6-12-22/h1-4,7-10H,5-6,11-12H2,(H2,20,21,23,24)
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n/an/an/an/a 2.36E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54865
PNG
(9-carbazolyl-(4-fluorophenyl)methanone | BRD-K1970...)
Show SMILES Fc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
Show InChI InChI=1S/C19H12FNO/c20-14-11-9-13(10-12-14)19(22)21-17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12H
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n/an/an/an/a 6.27E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54868
PNG
(2-[(2-benzylsulfonyl-5-chloro-pyrimidine-4-carbony...)
Show SMILES COC(=O)c1ccccc1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C20H16ClN3O5S/c1-29-19(26)14-9-5-6-10-16(14)23-18(25)17-15(21)11-22-20(24-17)30(27,28)12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,23,25)
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n/an/an/an/a 3.37E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54873
PNG
(4-(2,6-dichlorophenyl)sulfanyl-6-(methoxymethyl)-2...)
Show SMILES COCc1cc(Sc2c(Cl)cccc2Cl)nc(n1)-c1ccccc1
Show InChI InChI=1S/C18H14Cl2N2OS/c1-23-11-13-10-16(24-17-14(19)8-5-9-15(17)20)22-18(21-13)12-6-3-2-4-7-12/h2-10H,11H2,1H3
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n/an/an/an/a 7.59E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54880
PNG
(4-(2,6-dimethylphenoxy)-2-phenyl-5-(phenylsulfonyl...)
Show SMILES Cc1cccc(C)c1Oc1nc(ncc1S(=O)(=O)c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C24H20N2O3S/c1-17-10-9-11-18(2)22(17)29-24-21(30(27,28)20-14-7-4-8-15-20)16-25-23(26-24)19-12-5-3-6-13-19/h3-16H,1-2H3
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54881
PNG
(BRD-K54589752-001-05-1 | [4-(2-chlorobenzyl)pipera...)
Show SMILES Cc1cc(C)c2nc(cc(C(=O)N3CCN(Cc4ccccc4Cl)CC3)c2c1)-c1ccncc1
Show InChI InChI=1S/C28H27ClN4O/c1-19-15-20(2)27-23(16-19)24(17-26(31-27)21-7-9-30-10-8-21)28(34)33-13-11-32(12-14-33)18-22-5-3-4-6-25(22)29/h3-10,15-17H,11-14,18H2,1-2H3
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n/an/an/an/a 9.54E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54883
PNG
(4-methoxy-2-(4-propoxyphenyl)quinazoline | BRD-K58...)
Show SMILES CCCOc1ccc(cc1)-c1nc(OC)c2ccccc2n1
Show InChI InChI=1S/C18H18N2O2/c1-3-12-22-14-10-8-13(9-11-14)17-19-16-7-5-4-6-15(16)18(20-17)21-2/h4-11H,3,12H2,1-2H3
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n/an/an/an/a 4.03E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM54856
PNG
(7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(phenylm...)
Show SMILES Cn1c2nc(SCc3ccccc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C21H19ClN4O2S/c1-24-18-17(19(27)25(2)21(24)28)26(12-14-8-10-16(22)11-9-14)20(23-18)29-13-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
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n/an/an/an/a 5.90E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%