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Compile Data Set for Download or QSAR

Found 15 hits of ic50 for UniProtKB: P96471   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Streptokinase


(Streptococcus pyogenes)
BDBM50449290
PNG
(CHEMBL3125358)
Show SMILES CC1(C)Cc2ccc(cc2-c2nc(SCCOCC#C)n(CC=C)c(=O)c12)N=[N+]=[N-]
Show InChI InChI=1S/C22H23N5O2S/c1-5-9-27-20(28)18-19(24-21(27)30-12-11-29-10-6-2)17-13-16(25-26-23)8-7-15(17)14-22(18,3)4/h2,5,7-8,13H,1,9-12,14H2,3-4H3
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n/an/a 190n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as plasmin activity in human plasma after 24 hrs by colorimetric analysis


Bioorg Med Chem Lett 24: 1538-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.079
BindingDB Entry DOI: 10.7270/Q2959K2G
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50449289
PNG
(CHEMBL3125355)
Show SMILES CC1(CCOc2ccc-3c(CC(C)(C)c4c-3nc(SCCOCC#C)n(CC=C)c4=O)c2)N=N1 |c:35|
Show InChI InChI=1S/C26H30N4O3S/c1-6-11-30-23(31)21-22(27-24(30)34-15-14-32-12-7-2)20-9-8-19(16-18(20)17-25(21,3)4)33-13-10-26(5)28-29-26/h2,6,8-9,16H,1,10-15,17H2,3-5H3
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n/an/a 330n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as plasmin activity in human plasma after 24 hrs by colorimetric analysis


Bioorg Med Chem Lett 24: 1538-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.079
BindingDB Entry DOI: 10.7270/Q2959K2G
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50449288
PNG
(CHEMBL3125359)
Show SMILES CCSc1nc2-c3cc(OC)ccc3CC(C)(C)c2c(=O)n1CC=C
Show InChI InChI=1S/C20H24N2O2S/c1-6-10-22-18(23)16-17(21-19(22)25-7-2)15-11-14(24-5)9-8-13(15)12-20(16,3)4/h6,8-9,11H,1,7,10,12H2,2-5H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as plasmin activity in human plasma after 24 hrs by colorimetric analysis


Bioorg Med Chem Lett 24: 1538-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.079
BindingDB Entry DOI: 10.7270/Q2959K2G
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50431669
PNG
(CHEMBL2349512)
Show SMILES CCNc1nc2-c3cc(OC)ccc3CC(C)(C)c2c(=O)n1CC=C
Show InChI InChI=1S/C20H25N3O2/c1-6-10-23-18(24)16-17(22-19(23)21-7-2)15-11-14(25-5)9-8-13(15)12-20(16,3)4/h6,8-9,11H,1,7,10,12H2,2-5H3,(H,21,22)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as cleavage of S-2403 to colored product p-nitroaniline after 2 hrs


Bioorg Med Chem 21: 1880-97 (2013)


Article DOI: 10.1016/j.bmc.2013.01.046
BindingDB Entry DOI: 10.7270/Q2862HTW
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50431670
PNG
(CHEMBL2349510)
Show SMILES CCSc1nc2-c3ccccc3CC(C)(C)c2c(=O)n1CC=C
Show InChI InChI=1S/C19H22N2OS/c1-5-11-21-17(22)15-16(20-18(21)23-6-2)14-10-8-7-9-13(14)12-19(15,3)4/h5,7-10H,1,6,11-12H2,2-4H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as cleavage of S-2403 to colored product p-nitroaniline after 2 hrs


Bioorg Med Chem 21: 1880-97 (2013)


Article DOI: 10.1016/j.bmc.2013.01.046
BindingDB Entry DOI: 10.7270/Q2862HTW
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50431668
PNG
(CCG-203592)
Show SMILES CCNc1nc2-c3ccc(OC)cc3CC(C)(C)c2c(=O)n1CC=C
Show InChI InChI=1S/C20H25N3O2/c1-6-10-23-18(24)16-17(22-19(23)21-7-2)15-9-8-14(25-5)11-13(15)12-20(16,3)4/h6,8-9,11H,1,7,10,12H2,2-5H3,(H,21,22)
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as cleavage of S-2403 to colored product p-nitroaniline after 2 hrs


Bioorg Med Chem 21: 1880-97 (2013)


Article DOI: 10.1016/j.bmc.2013.01.046
BindingDB Entry DOI: 10.7270/Q2862HTW
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50431672
PNG
(CHEMBL2349411)
Show SMILES COCCSc1nc2-c3ccccc3CC(C)(C)c2c(=O)n1CC=C
Show InChI InChI=1S/C20H24N2O2S/c1-5-10-22-18(23)16-17(21-19(22)25-12-11-24-4)15-9-7-6-8-14(15)13-20(16,2)3/h5-9H,1,10-13H2,2-4H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as cleavage of S-2403 to colored product p-nitroaniline after 2 hrs


Bioorg Med Chem 21: 1880-97 (2013)


Article DOI: 10.1016/j.bmc.2013.01.046
BindingDB Entry DOI: 10.7270/Q2862HTW
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50449287
PNG
(CHEMBL3125353)
Show SMILES CC1(C)Cc2cc(ccc2-c2nc(SCCOCC#C)n(CC=C)c(=O)c12)C(=O)c1ccccc1
Show InChI InChI=1S/C29H28N2O3S/c1-5-14-31-27(33)24-25(30-28(31)35-17-16-34-15-6-2)23-13-12-21(18-22(23)19-29(24,3)4)26(32)20-10-8-7-9-11-20/h2,5,7-13,18H,1,14-17,19H2,3-4H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as plasmin activity in human plasma after 24 hrs by colorimetric analysis


Bioorg Med Chem Lett 24: 1538-44 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.079
BindingDB Entry DOI: 10.7270/Q2959K2G
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50431666
PNG
(CHEMBL2349398)
Show SMILES CCNc1nc2-c3ccc(OC(C)C)cc3CC(C)(C)c2c(=O)n1CC=C
Show InChI InChI=1S/C22H29N3O2/c1-7-11-25-20(26)18-19(24-21(25)23-8-2)17-10-9-16(27-14(3)4)12-15(17)13-22(18,5)6/h7,9-10,12,14H,1,8,11,13H2,2-6H3,(H,23,24)
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as cleavage of S-2403 to colored product p-nitroaniline after 2 hrs


Bioorg Med Chem 21: 1880-97 (2013)


Article DOI: 10.1016/j.bmc.2013.01.046
BindingDB Entry DOI: 10.7270/Q2862HTW
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50431665
PNG
(CHEMBL2349388)
Show SMILES COCCNc1nc(OCCc2ccc(OC)cc2)c2c(n1)-c1ccccc1CC2(C)C
Show InChI InChI=1S/C26H31N3O3/c1-26(2)17-19-7-5-6-8-21(19)23-22(26)24(29-25(28-23)27-14-16-30-3)32-15-13-18-9-11-20(31-4)12-10-18/h5-12H,13-17H2,1-4H3,(H,27,28,29)
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as cleavage of S-2403 to colored product p-nitroaniline after 2 hrs


Bioorg Med Chem 21: 1880-97 (2013)


Article DOI: 10.1016/j.bmc.2013.01.046
BindingDB Entry DOI: 10.7270/Q2862HTW
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50431667
PNG
(CHEMBL2349392)
Show SMILES COc1ccc-2c(CC(C)(C)c3c-2nc(NCC=C)n(CC=C)c3=O)c1
Show InChI InChI=1S/C21H25N3O2/c1-6-10-22-20-23-18-16-9-8-15(26-5)12-14(16)13-21(3,4)17(18)19(25)24(20)11-7-2/h6-9,12H,1-2,10-11,13H2,3-5H3,(H,22,23)
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n/an/a 6.90E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as cleavage of S-2403 to colored product p-nitroaniline after 2 hrs


Bioorg Med Chem 21: 1880-97 (2013)


Article DOI: 10.1016/j.bmc.2013.01.046
BindingDB Entry DOI: 10.7270/Q2862HTW
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50431671
PNG
(CHEMBL2349509)
Show SMILES CC1(C)Cc2ccccc2-c2nc(SCc3ccccc3)n(CC=C)c(=O)c12
Show InChI InChI=1S/C24H24N2OS/c1-4-14-26-22(27)20-21(19-13-9-8-12-18(19)15-24(20,2)3)25-23(26)28-16-17-10-6-5-7-11-17/h4-13H,1,14-16H2,2-3H3
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n/an/a 1.08E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as cleavage of S-2403 to colored product p-nitroaniline after 2 hrs


Bioorg Med Chem 21: 1880-97 (2013)


Article DOI: 10.1016/j.bmc.2013.01.046
BindingDB Entry DOI: 10.7270/Q2862HTW
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50431673
PNG
(CHEMBL2349522)
Show SMILES CSc1nc2-c3ccccc3CC3(CCCCC3)c2c(=O)n1CC=C
Show InChI InChI=1S/C21H24N2OS/c1-3-13-23-19(24)17-18(22-20(23)25-2)16-10-6-5-9-15(16)14-21(17)11-7-4-8-12-21/h3,5-6,9-10H,1,4,7-8,11-14H2,2H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as cleavage of S-2403 to colored product p-nitroaniline after 2 hrs


Bioorg Med Chem 21: 1880-97 (2013)


Article DOI: 10.1016/j.bmc.2013.01.046
BindingDB Entry DOI: 10.7270/Q2862HTW
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50431674
PNG
(CCG-102487)
Show SMILES C=CCn1c(SCc2ccccc2)nc2-c3ccccc3CC3(CCCCC3)c2c1=O
Show InChI InChI=1S/C27H28N2OS/c1-2-17-29-25(30)23-24(28-26(29)31-19-20-11-5-3-6-12-20)22-14-8-7-13-21(22)18-27(23)15-9-4-10-16-27/h2-3,5-8,11-14H,1,4,9-10,15-19H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as cleavage of S-2403 to colored product p-nitroaniline after 2 hrs


Bioorg Med Chem 21: 1880-97 (2013)


Article DOI: 10.1016/j.bmc.2013.01.046
BindingDB Entry DOI: 10.7270/Q2862HTW
More data for this
Ligand-Target Pair
Streptokinase


(Streptococcus pyogenes)
BDBM50431675
PNG
(CCG-2979)
Show SMILES CCCCSc1nc2-c3ccccc3CC3(CCCCC3)c2c(=O)n1CC=C
Show InChI InChI=1S/C24H30N2OS/c1-3-5-16-28-23-25-21-19-12-8-7-11-18(19)17-24(13-9-6-10-14-24)20(21)22(27)26(23)15-4-2/h4,7-8,11-12H,2-3,5-6,9-10,13-17H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of Streptococcus pyogenes UMAA2616 streptokinase assessed as cleavage of S-2403 to colored product p-nitroaniline after 2 hrs


Bioorg Med Chem 21: 1880-97 (2013)


Article DOI: 10.1016/j.bmc.2013.01.046
BindingDB Entry DOI: 10.7270/Q2862HTW
More data for this
Ligand-Target Pair