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PubChem AID 2470

Compile data set for download or QSAR
Found 14 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


(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 (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(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 3.84E+3n/an/an/an/a



Broad Institute

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)		BDBM65739
PNG
(2-chloranyl-N-[3-cyano-4-(4-methoxyphenyl)sulfonyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1C#N
Show InChI InChI=1S/C21H15ClN2O4S/c1-28-16-7-9-17(10-8-16)29(26,27)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 5.44E+3n/an/an/an/a



Broad Institute

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)		BDBM65741
PNG
(2-(3-methoxyphenyl)-4-propan-2-yloxy-quinazoline |...)
Show SMILES COc1cccc(c1)-c1nc(OC(C)C)c2ccccc2n1
Show InChI InChI=1S/C18H18N2O2/c1-12(2)22-18-15-9-4-5-10-16(15)19-17(20-18)13-7-6-8-14(11-13)21-3/h4-12H,1-3H3
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n/an/an/an/a 8.20E+3n/an/an/an/a



Broad Institute

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(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 3.14E+3n/an/an/an/a



Broad Institute

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)		BDBM65738
PNG
(3-chloranyl-N-[3-cyano-4-(4-methoxyphenyl)sulfanyl...)
Show SMILES COc1ccc(Sc2ccc(NC(=O)c3cccc(Cl)c3)cc2C#N)cc1
Show InChI InChI=1S/C21H15ClN2O2S/c1-26-18-6-8-19(9-7-18)27-20-10-5-17(12-15(20)13-23)24-21(25)14-3-2-4-16(22)11-14/h2-12H,1H3,(H,24,25)
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n/an/an/an/a 8.99E+3n/an/an/an/a



Broad Institute

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(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

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)		BDBM65742
PNG
(2-(4-chlorophenyl)-4-isopropoxy-quinazoline | 2-(4...)
Show SMILES CC(C)Oc1nc(nc2ccccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H15ClN2O/c1-11(2)21-17-14-5-3-4-6-15(14)19-16(20-17)12-7-9-13(18)10-8-12/h3-11H,1-2H3
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n/an/an/an/a 6.90E+3n/an/an/an/a



Broad Institute

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)		BDBM65740
PNG
(4-phenoxy-2-(4-propoxyphenyl)quinazoline | BRD-K80...)
Show SMILES CCCOc1ccc(cc1)-c1nc(Oc2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C23H20N2O2/c1-2-16-26-18-14-12-17(13-15-18)22-24-21-11-7-6-10-20(21)23(25-22)27-19-8-4-3-5-9-19/h3-15H,2,16H2,1H3
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n/an/an/an/a 7.16E+4n/an/an/an/a



Broad Institute

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)		BDBM65745
PNG
(BRD-K43069600-001-01-1 | N-[3-cyano-4-(4-methylphe...)
Show SMILES Cc1ccc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2C#N)cc1
Show InChI InChI=1S/C21H15FN2OS/c1-14-2-9-19(10-3-14)26-20-11-8-18(12-16(20)13-23)24-21(25)15-4-6-17(22)7-5-15/h2-12H,1H3,(H,24,25)
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)		BDBM65747
PNG
(4-chloranyl-N-(3-cyano-4-phenylsulfanyl-phenyl)ben...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1ccc(Sc2ccccc2)c(c1)C#N
Show InChI InChI=1S/C20H13ClN2OS/c21-16-8-6-14(7-9-16)20(24)23-17-10-11-19(15(12-17)13-22)25-18-4-2-1-3-5-18/h1-12H,(H,23,24)
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n/an/an/an/a 3.25E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)		BDBM65744
PNG
(4-(4-methoxyphenoxy)-2-(4-propoxyphenyl)quinazolin...)
Show SMILES CCCOc1ccc(cc1)-c1nc(Oc2ccc(OC)cc2)c2ccccc2n1
Show InChI InChI=1S/C24H22N2O3/c1-3-16-28-19-10-8-17(9-11-19)23-25-22-7-5-4-6-21(22)24(26-23)29-20-14-12-18(27-2)13-15-20/h4-15H,3,16H2,1-2H3
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n/an/an/an/a 1.79E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)		BDBM65746
PNG
(4-methoxy-2-(4-methoxyphenyl)quinazoline | BRD-K05...)
Show SMILES COc1ccc(cc1)-c1nc(OC)c2ccccc2n1
Show InChI InChI=1S/C16H14N2O2/c1-19-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(18-15)20-2/h3-10H,1-2H3
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n/an/an/an/a 6.32E+4n/an/an/an/a



Broad Institute

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
Streptokinase A


(Streptococcus pyogenes M1 GAS)		BDBM65743
PNG
(4-methoxy-2-phenyl-quinazoline | 4-methoxy-2-pheny...)
Show SMILES COc1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c1-18-15-12-9-5-6-10-13(12)16-14(17-15)11-7-3-2-4-8-11/h2-10H,1H3
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n/an/an/an/a 7.54E+4n/an/an/an/a



Broad Institute

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

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PN943S
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%