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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50032127   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50324688
PNG
(CHEMBL1221700 | N-(4-(4-tert-butylphenylamino)quin...)
Show SMILES CC(C)(C)c1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1
Show InChI InChI=1S/C21H22N4O/c1-5-19(26)24-16-10-11-18-17(12-16)20(23-13-22-18)25-15-8-6-14(7-9-15)21(2,3)4/h5-13H,1H2,2-4H3,(H,24,26)(H,22,23,25)
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n/an/a 689n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR expressed in baculovirus-infected Sf9 cells by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50324687
PNG
(CHEMBL1221699 | N-(4-(phenylamino)quinazolin-6-yl)...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1
Show InChI InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50324686
PNG
(CHEMBL1221770 | N-(4-(naphthalen-1-ylamino)quinazo...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3cccc4ccccc34)c2c1
Show InChI InChI=1S/C21H16N4O/c1-2-20(26)24-15-10-11-18-17(12-15)21(23-13-22-18)25-19-9-5-7-14-6-3-4-8-16(14)19/h2-13H,1H2,(H,24,26)(H,22,23,25)
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n/an/a 1.63E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50324686
PNG
(CHEMBL1221770 | N-(4-(naphthalen-1-ylamino)quinazo...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3cccc4ccccc34)c2c1
Show InChI InChI=1S/C21H16N4O/c1-2-20(26)24-15-10-11-18-17(12-15)21(23-13-22-18)25-19-9-5-7-14-6-3-4-8-16(14)19/h2-13H,1H2,(H,24,26)(H,22,23,25)
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n/an/a 1.63E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of c-src in by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50324692
PNG
(CHEMBL1221769 | N-(4-(naphthalen-2-ylamino)quinazo...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3ccc4ccccc4c3)c2c1
Show InChI InChI=1S/C21H16N4O/c1-2-20(26)24-17-9-10-19-18(12-17)21(23-13-22-19)25-16-8-7-14-5-3-4-6-15(14)11-16/h2-13H,1H2,(H,24,26)(H,22,23,25)
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n/an/a 1.81E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50324692
PNG
(CHEMBL1221769 | N-(4-(naphthalen-2-ylamino)quinazo...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3ccc4ccccc4c3)c2c1
Show InChI InChI=1S/C21H16N4O/c1-2-20(26)24-17-9-10-19-18(12-17)21(23-13-22-19)25-16-8-7-14-5-3-4-6-15(14)11-16/h2-13H,1H2,(H,24,26)(H,22,23,25)
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n/an/a>2.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of c-src in by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50324693
PNG
(CHEMBL1221415 | N-(4-((naphthalen-1-yl)methylamino...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(NCc3cccc4ccccc34)c2c1
Show InChI InChI=1S/C22H18N4O/c1-2-21(27)26-17-10-11-20-19(12-17)22(25-14-24-20)23-13-16-8-5-7-15-6-3-4-9-18(15)16/h2-12,14H,1,13H2,(H,26,27)(H,23,24,25)
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n/an/a>2.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of c-src in by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50324694
PNG
(CHEMBL1221822 | N-(4-(phenethylamino)quinazolin-6-...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(NCCc3ccccc3)c2c1
Show InChI InChI=1S/C19H18N4O/c1-2-18(24)23-15-8-9-17-16(12-15)19(22-13-21-17)20-11-10-14-6-4-3-5-7-14/h2-9,12-13H,1,10-11H2,(H,23,24)(H,20,21,22)
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n/an/a>2.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of c-src in by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50324695
PNG
(CHEMBL1221823 | N-(4-(4-tert-butylphenylamino)quin...)
Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3ccc(cc3)C(C)(C)C)c2c1
Show InChI InChI=1S/C21H24N4O/c1-5-19(26)24-16-10-11-18-17(12-16)20(23-13-22-18)25-15-8-6-14(7-9-15)21(2,3)4/h6-13H,5H2,1-4H3,(H,24,26)(H,22,23,25)
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n/an/a>2.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of c-src in by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50324691
PNG
(CHEMBL1221768 | N-(4-(4-isopropylphenylamino)quina...)
Show SMILES CC(C)c1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1
Show InChI InChI=1S/C20H20N4O/c1-4-19(25)23-16-9-10-18-17(11-16)20(22-12-21-18)24-15-7-5-14(6-8-15)13(2)3/h4-13H,1H2,2-3H3,(H,23,25)(H,21,22,24)
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n/an/a>2.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of c-src in by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50324690
PNG
(CHEMBL1221767 | N-(4-((1,1'-biphenyl)-4-ylamino)qu...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3ccc(cc3)-c3ccccc3)c2c1
Show InChI InChI=1S/C23H18N4O/c1-2-22(28)26-19-12-13-21-20(14-19)23(25-15-24-21)27-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h2-15H,1H2,(H,26,28)(H,24,25,27)
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n/an/a>2.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of c-src in by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50324689
PNG
(CHEMBL1221701 | N-(4-(4-bromophenylamino)quinazoli...)
Show SMILES Brc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-7-8-15-14(9-13)17(20-10-19-15)22-12-5-3-11(18)4-6-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a>2.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of c-src in by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50324688
PNG
(CHEMBL1221700 | N-(4-(4-tert-butylphenylamino)quin...)
Show SMILES CC(C)(C)c1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1
Show InChI InChI=1S/C21H22N4O/c1-5-19(26)24-16-10-11-18-17(12-16)20(23-13-22-18)25-15-8-6-14(7-9-15)21(2,3)4/h5-13H,1H2,2-4H3,(H,24,26)(H,22,23,25)
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n/an/a>2.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of c-src in by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50324687
PNG
(CHEMBL1221699 | N-(4-(phenylamino)quinazolin-6-yl)...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1
Show InChI InChI=1S/C17H14N4O/c1-2-16(22)20-13-8-9-15-14(10-13)17(19-11-18-15)21-12-6-4-3-5-7-12/h2-11H,1H2,(H,20,22)(H,18,19,21)
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n/an/a>2.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of c-src in by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a>2.70E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of c-src in by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50324693
PNG
(CHEMBL1221415 | N-(4-((naphthalen-1-yl)methylamino...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(NCc3cccc4ccccc34)c2c1
Show InChI InChI=1S/C22H18N4O/c1-2-21(27)26-17-10-11-20-19(12-17)22(25-14-24-20)23-13-16-8-5-7-15-6-3-4-9-18(15)16/h2-12,14H,1,13H2,(H,26,27)(H,23,24,25)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50324694
PNG
(CHEMBL1221822 | N-(4-(phenethylamino)quinazolin-6-...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(NCCc3ccccc3)c2c1
Show InChI InChI=1S/C19H18N4O/c1-2-18(24)23-15-8-9-17-16(12-15)19(22-13-21-17)20-11-10-14-6-4-3-5-7-14/h2-9,12-13H,1,10-11H2,(H,23,24)(H,20,21,22)
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM4567
PNG
(4-anilinoquinazoline deriv. 2 | BMC163482 Compound...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50324688
PNG
(CHEMBL1221700 | N-(4-(4-tert-butylphenylamino)quin...)
Show SMILES CC(C)(C)c1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1
Show InChI InChI=1S/C21H22N4O/c1-5-19(26)24-16-10-11-18-17(12-16)20(23-13-22-18)25-15-8-6-14(7-9-15)21(2,3)4/h5-13H,1H2,2-4H3,(H,24,26)(H,22,23,25)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50324689
PNG
(CHEMBL1221701 | N-(4-(4-bromophenylamino)quinazoli...)
Show SMILES Brc1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1
Show InChI InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-7-8-15-14(9-13)17(20-10-19-15)22-12-5-3-11(18)4-6-12/h2-10H,1H2,(H,21,23)(H,19,20,22)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50324690
PNG
(CHEMBL1221767 | N-(4-((1,1'-biphenyl)-4-ylamino)qu...)
Show SMILES C=CC(=O)Nc1ccc2ncnc(Nc3ccc(cc3)-c3ccccc3)c2c1
Show InChI InChI=1S/C23H18N4O/c1-2-22(28)26-19-12-13-21-20(14-19)23(25-15-24-21)27-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h2-15H,1H2,(H,26,28)(H,24,25,27)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50324691
PNG
(CHEMBL1221768 | N-(4-(4-isopropylphenylamino)quina...)
Show SMILES CC(C)c1ccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)cc1
Show InChI InChI=1S/C20H20N4O/c1-4-19(25)23-16-9-10-18-17(11-16)20(22-12-21-18)24-15-7-5-14(6-8-15)13(2)3/h4-13H,1H2,2-3H3,(H,23,25)(H,21,22,24)
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n/an/a>3.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50324695
PNG
(CHEMBL1221823 | N-(4-(4-tert-butylphenylamino)quin...)
Show SMILES CCC(=O)Nc1ccc2ncnc(Nc3ccc(cc3)C(C)(C)C)c2c1
Show InChI InChI=1S/C21H24N4O/c1-5-19(26)24-16-10-11-18-17(12-16)20(23-13-22-18)25-15-8-6-14(7-9-15)21(2,3)4/h6-13H,5H2,1-4H3,(H,24,26)(H,22,23,25)
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CHEMBL
PC cid
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UniChem

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Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Fyn expressed in Escherichia coli C43 by radioactive phosphotransfer assay


Nat Chem Biol 3: 229-38 (2007)


Article DOI: 10.1038/nchembio866
BindingDB Entry DOI: 10.7270/Q2XK8FR4
More data for this
Ligand-Target Pair