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PubMed code 21300544

Compile data set for download or QSAR
Found 19 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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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PubMed
n/an/a 300n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142887
PNG
(1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[...)
Show SMILES CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337691
PNG
(1-(2-(4-Hexyl-1H-1,2,3-triazol-1-yl)ethyl)-3-pheny...)
Show SMILES CCCCCCc1cn(CCn2nc(-c3ccccc3)c3c(N)ncnc23)nn1
Show InChI InChI=1S/C21H26N8/c1-2-3-4-8-11-17-14-28(27-25-17)12-13-29-21-18(20(22)23-15-24-21)19(26-29)16-9-6-5-7-10-16/h5-7,9-10,14-15H,2-4,8,11-13H2,1H3,(H2,22,23,24)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337693
PNG
(1-(2-Azidoethyl)-3-phenyl-1H-pyrazolo[3,4-d]pyrimi...)
Show SMILES Nc1ncnc2n(CCN=[N+]=[N-])nc(-c3ccccc3)c12
Show InChI InChI=1S/C13H12N8/c14-12-10-11(9-4-2-1-3-5-9)19-21(7-6-18-20-15)13(10)17-8-16-12/h1-5,8H,6-7H2,(H2,14,16,17)
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n/an/a 6.20E+3n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337678
PNG
(3-(4-((4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES Nc1ncnc2n(Cc3cn(CC(=O)CCCO)nn3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C19H20N8O2/c20-18-16-17(13-5-2-1-3-6-13)24-27(19(16)22-12-21-18)10-14-9-26(25-23-14)11-15(29)7-4-8-28/h1-3,5-6,9,12,28H,4,7-8,10-11H2,(H2,20,21,22)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337677
PNG
(CHEMBL1683309 | Ethyl 2-(4-((4-amino-3-phenyl-1H-p...)
Show SMILES CCOC(=O)Cn1cc(Cn2nc(-c3ccccc3)c3c(N)ncnc23)nn1
Show InChI InChI=1S/C18H18N8O2/c1-2-28-14(27)10-25-8-13(22-24-25)9-26-18-15(17(19)20-11-21-18)16(23-26)12-6-4-3-5-7-12/h3-8,11H,2,9-10H2,1H3,(H2,19,20,21)
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n/an/a 1.27E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337680
PNG
(2-(4-((4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES Nc1ncnc2n(Cc3cn(CC(=O)Nc4ccc(F)cc4)nn3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C22H18FN9O/c23-15-6-8-16(9-7-15)27-18(33)12-31-10-17(28-30-31)11-32-22-19(21(24)25-13-26-22)20(29-32)14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,27,33)(H2,24,25,26)
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n/an/a 1.64E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337688
PNG
(1-(2-(4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl)et...)
Show SMILES COc1ccc(cc1)-c1cn(CCn2nc(-c3ccccc3)c3c(N)ncnc23)nn1
Show InChI InChI=1S/C22H20N8O/c1-31-17-9-7-15(8-10-17)18-13-29(28-26-18)11-12-30-22-19(21(23)24-14-25-22)20(27-30)16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H2,23,24,25)
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n/an/a 1.74E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337681
PNG
(2-(4-((4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES Nc1ncnc2n(Cc3cn(CC(=O)Nc4ccccc4)nn3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C22H19N9O/c23-21-19-20(15-7-3-1-4-8-15)28-31(22(19)25-14-24-21)12-17-11-30(29-27-17)13-18(32)26-16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,26,32)(H2,23,24,25)
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n/an/a 2.31E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337687
PNG
(1-(2-(4-(4-Fluorophenyl)-1H-1,2,3-triazol-1-yl)eth...)
Show SMILES Nc1ncnc2n(CCn3cc(nn3)-c3ccc(F)cc3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C21H17FN8/c22-16-8-6-14(7-9-16)17-12-29(28-26-17)10-11-30-21-18(20(23)24-13-25-21)19(27-30)15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H2,23,24,25)
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n/an/a 2.96E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337685
PNG
(2-(4-((4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES Nc1ncnc2n(Cc3cn(CC(=O)c4ccc(Cl)cc4)nn3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C22H17ClN8O/c23-16-8-6-14(7-9-16)18(32)12-30-10-17(27-29-30)11-31-22-19(21(24)25-13-26-22)20(28-31)15-4-2-1-3-5-15/h1-10,13H,11-12H2,(H2,24,25,26)
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n/an/a>7.50E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337686
PNG
(1-(4-(1-(2-(4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyr...)
Show SMILES CC(=O)c1ccc(cc1)-c1cn(CCn2nc(-c3ccccc3)c3c(N)ncnc23)nn1
Show InChI InChI=1S/C23H20N8O/c1-15(32)16-7-9-17(10-8-16)19-13-30(29-27-19)11-12-31-23-20(22(24)25-14-26-23)21(28-31)18-5-3-2-4-6-18/h2-10,13-14H,11-12H2,1H3,(H2,24,25,26)
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n/an/a>7.50E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337689
PNG
(1-(2-(4-Decyl-1H-1,2,3-triazol-1-yl)ethyl)-3-pheny...)
Show SMILES CCCCCCCCCCc1cn(CCn2nc(-c3ccccc3)c3c(N)ncnc23)nn1
Show InChI InChI=1S/C25H34N8/c1-2-3-4-5-6-7-8-12-15-21-18-32(31-29-21)16-17-33-25-22(24(26)27-19-28-25)23(30-33)20-13-10-9-11-14-20/h9-11,13-14,18-19H,2-8,12,15-17H2,1H3,(H2,26,27,28)
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n/an/a>7.50E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337683
PNG
(2-(4-((4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES Cc1ccc(cc1)C(=O)Cn1cc(Cn2nc(-c3ccccc3)c3c(N)ncnc23)nn1
Show InChI InChI=1S/C23H20N8O/c1-15-7-9-16(10-8-15)19(32)13-30-11-18(27-29-30)12-31-23-20(22(24)25-14-26-23)21(28-31)17-5-3-2-4-6-17/h2-11,14H,12-13H2,1H3,(H2,24,25,26)
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n/an/a>7.50E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337692
PNG
(1-(2-(4-Butyl-1H-1,2,3-triazol-1-yl)ethyl)-3-pheny...)
Show SMILES CCCCc1cn(CCn2nc(-c3ccccc3)c3c(N)ncnc23)nn1
Show InChI InChI=1S/C19H22N8/c1-2-3-9-15-12-26(25-23-15)10-11-27-19-16(18(20)21-13-22-19)17(24-27)14-7-5-4-6-8-14/h4-8,12-13H,2-3,9-11H2,1H3,(H2,20,21,22)
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n/an/a>7.50E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337684
PNG
(2-(4-((4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES Nc1ncnc2n(Cc3cn(CC(=O)c4ccccc4)nn3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C22H18N8O/c23-21-19-20(16-9-5-2-6-10-16)27-30(22(19)25-14-24-21)12-17-11-29(28-26-17)13-18(31)15-7-3-1-4-8-15/h1-11,14H,12-13H2,(H2,23,24,25)
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n/an/a>7.50E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337690
PNG
(1-(2-(4-Heptyl-1H-1,2,3-triazol-1-yl)ethyl)-3-phen...)
Show SMILES CCCCCCCc1cn(CCn2nc(-c3ccccc3)c3c(N)ncnc23)nn1
Show InChI InChI=1S/C22H28N8/c1-2-3-4-5-9-12-18-15-29(28-26-18)13-14-30-22-19(21(23)24-16-25-22)20(27-30)17-10-7-6-8-11-17/h6-8,10-11,15-16H,2-5,9,12-14H2,1H3,(H2,23,24,25)
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n/an/a>7.50E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337679
PNG
(2-(4-((4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES Nc1ncnc2n(Cc3cn(CC(=O)Nc4ccc(Cl)cc4)nn3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C22H18ClN9O/c23-15-6-8-16(9-7-15)27-18(33)12-31-10-17(28-30-31)11-32-22-19(21(24)25-13-26-22)20(29-32)14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,27,33)(H2,24,25,26)
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n/an/a>7.50E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50337682
PNG
(2-(4-((4-Amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES Nc1ncnc2n(Cc3cn(CC(=O)c4cccs4)nn3)nc(-c3ccccc3)c12
Show InChI InChI=1S/C20H16N8OS/c21-19-17-18(13-5-2-1-3-6-13)25-28(20(17)23-12-22-19)10-14-9-27(26-24-14)11-15(29)16-7-4-8-30-16/h1-9,12H,10-11H2,(H2,21,22,23)
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n/an/a>7.50E+4n/an/an/an/an/an/a



Institute of Technology and Science

Curated by ChEMBL


Assay Description
Inhibition of GST-fussed c-SRC after 30 mins


Bioorg Med Chem Lett 21: 1342-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.047
BindingDB Entry DOI: 10.7270/Q2P84C6B
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%