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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50040903   
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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n/an/a 300n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
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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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50401865
PNG
(CHEMBL2205390)
Show SMILES COc1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
Show InChI InChI=1S/C12H16O6/c1-16-7-3-2-4-8(5-7)17-12-11(15)10(14)9(6-13)18-12/h2-5,9-15H,6H2,1H3/t9-,10-,11-,12-/m1/s1
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n/an/a 9.50E+4n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50401868
PNG
(CHEMBL2205384)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(cc2)-c2ccccc2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C17H18O5/c18-10-14-15(19)16(20)17(22-14)21-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-20H,10H2/t14-,15-,16-,17-/m1/s1
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n/an/a 1.25E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50401866
PNG
(CHEMBL2205388)
Show SMILES Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C12H16O5/c1-7-2-4-8(5-3-7)16-12-11(15)10(14)9(6-13)17-12/h2-5,9-15H,6H2,1H3/t9-,10-,11-,12-/m1/s1
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n/an/a 1.43E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50401871
PNG
(CHEMBL2205381)
Show SMILES OC[C@H]1O[C@H](Oc2cccc3ccccc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H16O5/c16-8-12-13(17)14(18)15(20-12)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-18H,8H2/t12-,13-,14-,15+/m1/s1
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n/an/a 1.85E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50401870
PNG
(CHEMBL2205382)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H16O5/c16-8-12-13(17)14(18)15(20-12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-18H,8H2/t12-,13-,14-,15-/m1/s1
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n/an/a 2.25E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50401863
PNG
(CHEMBL2205394)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C11H14O6/c12-5-8-9(14)10(15)11(17-8)16-7-3-1-6(13)2-4-7/h1-4,8-15H,5H2/t8-,9-,10-,11-/m1/s1
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n/an/a 2.72E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50401869
PNG
(CHEMBL2205383)
Show SMILES OC[C@H]1O[C@H](Oc2ccc3ccccc3c2)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H16O5/c16-8-12-13(17)14(18)15(20-12)19-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-18H,8H2/t12-,13-,14-,15+/m1/s1
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PubMed
n/an/a 2.97E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50401867
PNG
(CHEMBL2205387)
Show SMILES Cc1cccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 |r|
Show InChI InChI=1S/C12H16O5/c1-7-3-2-4-8(5-7)16-12-11(15)10(14)9(6-13)17-12/h2-5,9-15H,6H2,1H3/t9-,10-,11-,12+/m1/s1
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Article
PubMed
n/an/a 4.51E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50401864
PNG
(CHEMBL2205392)
Show SMILES COc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 |r|
Show InChI InChI=1S/C12H16O6/c1-16-7-2-4-8(5-3-7)17-12-11(15)10(14)9(6-13)18-12/h2-5,9-15H,6H2,1H3/t9-,10-,11-,12-/m1/s1
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n/an/a 4.84E+5n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50401872
PNG
(CHEMBL2205380)
Show SMILES OC[C@H]1O[C@@H](Oc2cccc3ccccc23)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C15H16O5/c16-8-12-13(17)14(18)15(20-12)19-11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-18H,8H2/t12-,13-,14-,15-/m1/s1
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n/an/a 1.37E+6n/an/an/an/an/an/a



University of Delhi

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged c-Src preincubated for 30 mins measured after 60 mins


Bioorg Med Chem 20: 6821-30 (2012)


Article DOI: 10.1016/j.bmc.2012.09.057
BindingDB Entry DOI: 10.7270/Q23B619Q
More data for this
Ligand-Target Pair