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Compile Data Set for Download or QSAR

Found 114 hits Enz. Inhib. hit(s) with all data for entry = 50041726   
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))
BDBM50145415
PNG
(1-(2-chloro-2-phenylethyl)-N,N-diethyl-6-(methylth...)
Show SMILES CCN(CC)c1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C18H22ClN5S/c1-4-23(5-2)16-14-11-20-24(17(14)22-18(21-16)25-3)12-15(19)13-9-7-6-8-10-13/h6-11,15H,4-5,12H2,1-3H3
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501n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142882
PNG
(Butyl-[1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl...)
Show SMILES CCCCNc1nc(SCC)nc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C19H24ClN5S/c1-3-5-11-21-17-15-12-22-25(18(15)24-19(23-17)26-4-2)13-16(20)14-9-7-6-8-10-14/h6-10,12,16H,3-5,11,13H2,1-2H3,(H,21,23,24)
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631n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50145425
PNG
(1-(2-chloro-2-phenylethyl)-6-(ethylthio)-N-propyl-...)
Show SMILES CCCNc1nc(SCC)nc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C18H22ClN5S/c1-3-10-20-16-14-11-21-24(17(14)23-18(22-16)25-4-2)12-15(19)13-8-6-5-7-9-13/h5-9,11,15H,3-4,10,12H2,1-2H3,(H,20,22,23)
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631n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50224368
PNG
(1-(2-chloro-2-phenylethyl)-N-(3-chlorophenyl)-6-(m...)
Show SMILES CSc1nc(Nc2cccc(Cl)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C20H17Cl2N5S/c1-28-20-25-18(24-15-9-5-8-14(21)10-15)16-11-23-27(19(16)26-20)12-17(22)13-6-3-2-4-7-13/h2-11,17H,12H2,1H3,(H,24,25,26)
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794n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183364
PNG
(1-(2-bromo-2-phenylethyl)-N-propyl-1H-pyrazolo[3,4...)
Show SMILES CCCNc1ncnc2n(CC(Br)c3ccccc3)ncc12
Show InChI InChI=1S/C16H18BrN5/c1-2-8-18-15-13-9-21-22(16(13)20-11-19-15)10-14(17)12-6-4-3-5-7-12/h3-7,9,11,14H,2,8,10H2,1H3,(H,18,19,20)
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794n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50145411
PNG
(1-(2-chloro-2-phenylethyl)-6-(methylthio)-N-propyl...)
Show SMILES CCCNc1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C17H20ClN5S/c1-3-9-19-15-13-10-20-23(16(13)22-17(21-15)24-2)11-14(18)12-7-5-4-6-8-12/h4-8,10,14H,3,9,11H2,1-2H3,(H,19,21,22)
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794n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183338
PNG
(1-(2-bromo-2-phenylethyl)-4-(piperidin-1-yl)-1H-py...)
Show SMILES BrC(Cn1ncc2c(ncnc12)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H20BrN5/c19-16(14-7-3-1-4-8-14)12-24-18-15(11-22-24)17(20-13-21-18)23-9-5-2-6-10-23/h1,3-4,7-8,11,13,16H,2,5-6,9-10,12H2
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1.58E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183345
PNG
(1-(2-bromo-2-phenylethyl)-N-(2-ethoxyethyl)-1H-pyr...)
Show SMILES CCOCCNc1ncnc2n(CC(Br)c3ccccc3)ncc12
Show InChI InChI=1S/C17H20BrN5O/c1-2-24-9-8-19-16-14-10-22-23(17(14)21-12-20-16)11-15(18)13-6-4-3-5-7-13/h3-7,10,12,15H,2,8-9,11H2,1H3,(H,19,20,21)
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1.58E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50413973
PNG
(CHEMBL515760)
Show SMILES ClC(Cn1ncc2c(NCCc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C21H20ClN5/c22-19(17-9-5-2-6-10-17)14-27-21-18(13-26-27)20(24-15-25-21)23-12-11-16-7-3-1-4-8-16/h1-10,13,15,19H,11-12,14H2,(H,23,24,25)
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142889
PNG
(Butyl-[1-(2-chloro-2-phenyl-ethyl)-6-methylsulfany...)
Show SMILES CCCCNc1nc(SC)nc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C18H22ClN5S/c1-3-4-10-20-16-14-11-21-24(17(14)23-18(22-16)25-2)12-15(19)13-8-6-5-7-9-13/h5-9,11,15H,3-4,10,12H2,1-2H3,(H,20,22,23)
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50413975
PNG
(CHEMBL472822)
Show SMILES CCCCNc1ncnc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C17H20ClN5/c1-2-3-9-19-16-14-10-22-23(17(14)21-12-20-16)11-15(18)13-7-5-4-6-8-13/h4-8,10,12,15H,2-3,9,11H2,1H3,(H,19,20,21)
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2.00E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414018
PNG
(CHEMBL515714)
Show SMILES CSc1nc(NC2CC2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C17H18ClN5S/c1-24-17-21-15(20-12-7-8-12)13-9-19-23(16(13)22-17)10-14(18)11-5-3-2-4-6-11/h2-6,9,12,14H,7-8,10H2,1H3,(H,20,21,22)
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2.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142884
PNG
(1-(2-Chloro-2-phenyl-ethyl)-6-methylsulfanyl-4-pip...)
Show SMILES CSc1nc(N2CCCCC2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C19H22ClN5S/c1-26-19-22-17(24-10-6-3-7-11-24)15-12-21-25(18(15)23-19)13-16(20)14-8-4-2-5-9-14/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3
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2.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183347
PNG
(2-(4-(phenethylamino)-1H-pyrazolo[3,4-d]pyrimidin-...)
Show SMILES OC(Cn1ncc2c(NCCc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C21H21N5O/c27-19(17-9-5-2-6-10-17)14-26-21-18(13-25-26)20(23-15-24-21)22-12-11-16-7-3-1-4-8-16/h1-10,13,15,19,27H,11-12,14H2,(H,22,23,24)
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2.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414017
PNG
(CHEMBL514928)
Show SMILES ClC(Cn1ncc2c(NC3CCCCC3)ncnc12)c1ccccc1
Show InChI InChI=1S/C19H22ClN5/c20-17(14-7-3-1-4-8-14)12-25-19-16(11-23-25)18(21-13-22-19)24-15-9-5-2-6-10-15/h1,3-4,7-8,11,13,15,17H,2,5-6,9-10,12H2,(H,21,22,24)
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2.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183355
PNG
(2-(4-(benzylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-y...)
Show SMILES OC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C20H19N5O/c26-18(16-9-5-2-6-10-16)13-25-20-17(12-24-25)19(22-14-23-20)21-11-15-7-3-1-4-8-15/h1-10,12,14,18,26H,11,13H2,(H,21,22,23)
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2.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414016
PNG
(CHEMBL475366)
Show SMILES CCCNc1ncnc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C16H18ClN5/c1-2-8-18-15-13-9-21-22(16(13)20-11-19-15)10-14(17)12-6-4-3-5-7-12/h3-7,9,11,14H,2,8,10H2,1H3,(H,18,19,20)
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3.16E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183336
PNG
(1-(2-bromo-2-phenylethyl)-N-butyl-1H-pyrazolo[3,4-...)
Show SMILES CCCCNc1ncnc2n(CC(Br)c3ccccc3)ncc12
Show InChI InChI=1S/C17H20BrN5/c1-2-3-9-19-16-14-10-22-23(17(14)21-12-20-16)11-15(18)13-7-5-4-6-8-13/h4-8,10,12,15H,2-3,9,11H2,1H3,(H,19,20,21)
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3.16E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183351
PNG
(1-(2-bromo-2-phenylethyl)-N-isopropyl-1H-pyrazolo[...)
Show SMILES CC(C)Nc1ncnc2n(CC(Br)c3ccccc3)ncc12
Show InChI InChI=1S/C16H18BrN5/c1-11(2)21-15-13-8-20-22(16(13)19-10-18-15)9-14(17)12-6-4-3-5-7-12/h3-8,10-11,14H,9H2,1-2H3,(H,18,19,21)
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3.16E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183342
PNG
(CHEMBL382153 | N-benzyl-1-(2-bromo-2-phenylethyl)-...)
Show SMILES BrC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C20H18BrN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24)
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3.16E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50354486
PNG
(CHEMBL411043)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24)
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3.16E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142885
PNG
(Benzyl-[1-(2-chloro-2-phenyl-ethyl)-6-methylsulfan...)
Show SMILES CSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C21H20ClN5S/c1-28-21-25-19(23-12-15-8-4-2-5-9-15)17-13-24-27(20(17)26-21)14-18(22)16-10-6-3-7-11-16/h2-11,13,18H,12,14H2,1H3,(H,23,25,26)
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3.98E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142890
PNG
(1-(2-Chloro-2-phenyl-ethyl)-6-ethylsulfanyl-4-morp...)
Show SMILES CCSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C19H22ClN5OS/c1-2-27-19-22-17(24-8-10-26-11-9-24)15-12-21-25(18(15)23-19)13-16(20)14-6-4-3-5-7-14/h3-7,12,16H,2,8-11,13H2,1H3
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3.98E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414019
PNG
(CHEMBL471913)
Show SMILES OC(=O)c1cnc2n(\C=C\c3ccccc3)ncc2c1NCc1ccccc1
Show InChI InChI=1S/C22H18N4O2/c27-22(28)19-14-24-21-18(20(19)23-13-17-9-5-2-6-10-17)15-25-26(21)12-11-16-7-3-1-4-8-16/h1-12,14-15H,13H2,(H,23,24)(H,27,28)/b12-11+
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3.98E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50413974
PNG
(CHEMBL475367)
Show SMILES CCN(CC)c1ncnc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C17H20ClN5/c1-3-22(4-2)16-14-10-21-23(17(14)20-12-19-16)11-15(18)13-8-6-5-7-9-13/h5-10,12,15H,3-4,11H2,1-2H3
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5.01E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50142879
PNG
(1-(2-Chloro-2-phenyl-ethyl)-6-methylsulfanyl-4-mor...)
Show SMILES CSc1nc(N2CCOCC2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C18H20ClN5OS/c1-26-18-21-16(23-7-9-25-10-8-23)14-11-20-24(17(14)22-18)12-15(19)13-5-3-2-4-6-13/h2-6,11,15H,7-10,12H2,1H3
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6.31E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50413976
PNG
(CHEMBL472959)
Show SMILES ClC(Cn1ncc2c(ncnc12)N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C18H20ClN5/c19-16(14-7-3-1-4-8-14)12-24-18-15(11-22-24)17(20-13-21-18)23-9-5-2-6-10-23/h1,3-4,7-8,11,13,16H,2,5-6,9-10,12H2
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6.31E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50145413
PNG
(1-(2-Chloro-2-phenyl-ethyl)-6-ethylsulfanyl-4-pipe...)
Show SMILES CCSc1nc(N2CCCCC2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C20H24ClN5S/c1-2-27-20-23-18(25-11-7-4-8-12-25)16-13-22-26(19(16)24-20)14-17(21)15-9-5-3-6-10-15/h3,5-6,9-10,13,17H,2,4,7-8,11-12,14H2,1H3
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7.94E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50145423
PNG
(Benzyl-[1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfany...)
Show SMILES CCSc1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
Show InChI InChI=1S/C22H22ClN5S/c1-2-29-22-26-20(24-13-16-9-5-3-6-10-16)18-14-25-28(21(18)27-22)15-19(23)17-11-7-4-8-12-17/h3-12,14,19H,2,13,15H2,1H3,(H,24,26,27)
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7.94E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414020
PNG
(CHEMBL475190)
Show SMILES ClC(Cn1ncc2c(NC3CC3)ncnc12)c1ccccc1
Show InChI InChI=1S/C16H16ClN5/c17-14(11-4-2-1-3-5-11)9-22-16-13(8-20-22)15(18-10-19-16)21-12-6-7-12/h1-5,8,10,12,14H,6-7,9H2,(H,18,19,21)
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50413977
PNG
(CHEMBL473154)
Show SMILES ClC(Cn1ncc2c(ncnc12)N1CCCCCC1)c1ccccc1
Show InChI InChI=1S/C19H22ClN5/c20-17(15-8-4-3-5-9-15)13-25-19-16(12-23-25)18(21-14-22-19)24-10-6-1-2-7-11-24/h3-5,8-9,12,14,17H,1-2,6-7,10-11,13H2
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414010
PNG
(CHEMBL84945)
Show SMILES CCCNc1ncnc2n(CC(O)c3ccccc3)ncc12
Show InChI InChI=1S/C16H19N5O/c1-2-8-17-15-13-9-20-21(16(13)19-11-18-15)10-14(22)12-6-4-3-5-7-12/h3-7,9,11,14,22H,2,8,10H2,1H3,(H,17,18,19)
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414011
PNG
(CHEMBL203650)
Show SMILES OC(Cn1ncc2c(NCc3ccc(F)cc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C20H18FN5O/c21-16-8-6-14(7-9-16)10-22-19-17-11-25-26(20(17)24-13-23-19)12-18(27)15-4-2-1-3-5-15/h1-9,11,13,18,27H,10,12H2,(H,22,23,24)
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183352
PNG
(1-(2-bromo-2-phenylethyl)-4-(pyrrolidin-1-yl)-1H-p...)
Show SMILES BrC(Cn1ncc2c(ncnc12)N1CCCC1)c1ccccc1
Show InChI InChI=1S/C17H18BrN5/c18-15(13-6-2-1-3-7-13)11-23-17-14(10-21-23)16(19-12-20-17)22-8-4-5-9-22/h1-3,6-7,10,12,15H,4-5,8-9,11H2
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1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414005
PNG
(CHEMBL474998)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)-c1ccc(OCCNCCO)cc1
Show InChI InChI=1S/C22H23N5O3/c23-21-20-19(15-2-1-3-17(29)12-15)13-27(22(20)26-14-25-21)16-4-6-18(7-5-16)30-11-9-24-8-10-28/h1-7,12-14,24,28-29H,8-11H2,(H2,23,25,26)
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n/an/a 0.316n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414006
PNG
(CHEMBL516062)
Show SMILES CN(C)CCc1ccccc1-n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C22H23N5O/c1-26(2)11-10-15-6-3-4-9-19(15)27-13-18(16-7-5-8-17(28)12-16)20-21(23)24-14-25-22(20)27/h3-9,12-14,28H,10-11H2,1-2H3,(H2,23,24,25)
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n/an/a 0.316n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097956
PNG
(3-(4-Amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidi...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c18-16-15-14(11-4-3-7-13(22)8-11)9-21(12-5-1-2-6-12)17(15)20-10-19-16/h3-4,7-10,12,22H,1-2,5-6H2,(H2,18,19,20)
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n/an/a 1n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097979
PNG
(2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES NC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C19H22N6O2/c20-16(27)10-24-6-4-13(5-7-24)25-9-15(12-2-1-3-14(26)8-12)17-18(21)22-11-23-19(17)25/h1-3,8-9,11,13,26H,4-7,10H2,(H2,20,27)(H2,21,22,23)
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n/an/a 1n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097971
PNG
(CHEMBL262276 | methyl 2-(4-(4-amino-5-(3-hydroxyph...)
Show SMILES COC(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C20H23N5O3/c1-28-17(27)11-24-7-5-14(6-8-24)25-10-16(13-3-2-4-15(26)9-13)18-19(21)22-12-23-20(18)25/h2-4,9-10,12,14,26H,5-8,11H2,1H3,(H2,21,22,23)
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n/an/a 1n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097967
PNG
(3-(4-amino-7-(1-(2-hydroxyethyl)piperidin-4-yl)-7H...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCN(CCO)CC1
Show InChI InChI=1S/C19H23N5O2/c20-18-17-16(13-2-1-3-15(26)10-13)11-24(19(17)22-12-21-18)14-4-6-23(7-5-14)8-9-25/h1-3,10-12,14,25-26H,4-9H2,(H2,20,21,22)
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PubMed
n/an/a 1n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097939
PNG
(7-Cyclopentyl-5-(3-methoxy-phenyl)-7H-pyrrolo[2,3-...)
Show SMILES COc1cccc(c1)-c1cn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C18H20N4O/c1-23-14-8-4-5-12(9-14)15-10-22(13-6-2-3-7-13)18-16(15)17(19)20-11-21-18/h4-5,8-11,13H,2-3,6-7H2,1H3,(H2,19,20,21)
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PubMed
n/an/a 2n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414012
PNG
(CHEMBL473024)
Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)-c1ccc(OCCNCCO)cc1
Show InChI InChI=1S/C22H23N5O3/c23-21-20-19(15-1-5-17(29)6-2-15)13-27(22(20)26-14-25-21)16-3-7-18(8-4-16)30-12-10-24-9-11-28/h1-8,13-14,24,28-29H,9-12H2,(H2,23,25,26)
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n/an/a 3.16n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097958
PNG
(2-(4-(4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d...)
Show SMILES CN(C)C(=O)CN1CCC(CC1)n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C21H26N6O2/c1-25(2)18(29)12-26-8-6-15(7-9-26)27-11-17(14-4-3-5-16(28)10-14)19-20(22)23-13-24-21(19)27/h3-5,10-11,13,15,28H,6-9,12H2,1-2H3,(H2,22,23,24)
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n/an/a 3.16n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097942
PNG
(3-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES Nc1ncnc2n(cc(-c3cccc(O)c3)c12)C1CCC1
Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-3-1-6-12(21)7-10)8-20(11-4-2-5-11)16(14)19-9-18-15/h1,3,6-9,11,21H,2,4-5H2,(H2,17,18,19)
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n/an/a 3.98n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50413984
PNG
(CHEMBL470527)
Show SMILES CCOC(=O)C[C@@H]1C[C@@H](CN1)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C20H23N5O3/c1-2-28-17(27)8-13-7-14(9-22-13)25-10-16(12-3-5-15(26)6-4-12)18-19(21)23-11-24-20(18)25/h3-6,10-11,13-14,22,26H,2,7-9H2,1H3,(H2,21,23,24)/t13-,14-/m0/s1
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n/an/a 5.01n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097974
PNG
(2-((2-(4-(4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2...)
Show SMILES COc1cccc(c1)-c1cn(C2CCN(CCN(C)CCO)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H32N6O2/c1-27(12-13-30)10-11-28-8-6-18(7-9-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)25-16-26-23(21)29/h3-5,14-16,18,30H,6-13H2,1-2H3,(H2,24,25,26)
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PubMed
n/an/a 6.31n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414014
PNG
(CHEMBL475156)
Show SMILES COCCNCCOc1cccc(c1)-n1cc(-c2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C23H25N5O3/c1-30-10-8-25-9-11-31-19-7-3-5-17(13-19)28-14-20(16-4-2-6-18(29)12-16)21-22(24)26-15-27-23(21)28/h2-7,12-15,25,29H,8-11H2,1H3,(H2,24,26,27)
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PubMed
n/an/a 7.94n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50088905
PNG
(2-(3-(4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-...)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CNCCO)c1
Show InChI InChI=1S/C21H21N5O/c22-20-19-18(16-6-2-1-3-7-16)13-26(21(19)25-14-24-20)17-8-4-5-15(11-17)12-23-9-10-27/h1-8,11,13-14,23,27H,9-10,12H2,(H2,22,24,25)
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50414004
PNG
(CHEMBL515751)
Show SMILES COCCN(C)CCc1ccc(cc1)-n1cc(-c2cccc(OC)c2)c2c(N)ncnc12
Show InChI InChI=1S/C25H29N5O2/c1-29(13-14-31-2)12-11-18-7-9-20(10-8-18)30-16-22(19-5-4-6-21(15-19)32-3)23-24(26)27-17-28-25(23)30/h4-10,15-17H,11-14H2,1-3H3,(H2,26,27,28)
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n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097951
PNG
(4-(4-Amino-7-cyclobutyl-7H-pyrrolo[2,3-d]pyrimidin...)
Show SMILES Nc1ncnc2n(cc(-c3ccc(O)cc3)c12)C1CCC1
Show InChI InChI=1S/C16H16N4O/c17-15-14-13(10-4-6-12(21)7-5-10)8-20(11-2-1-3-11)16(14)19-9-18-15/h4-9,11,21H,1-3H2,(H2,17,18,19)
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PubMed
n/an/a 10n/an/an/an/an/an/a



Universit£ degli Studi di Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 44: 990-1000 (2009)


Article DOI: 10.1016/j.ejmech.2008.07.002
BindingDB Entry DOI: 10.7270/Q2ZC8434
More data for this
Ligand-Target Pair
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