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PubMed code 18179464

Compile data set for download or QSAR
Found 10 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


(Mus musculus (Mouse))		BDBM50318870
PNG
(((4-(2-(cis-4-aminocyclohexyl)-9-ethyl-9H-purin-6-...)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(nc12)[C@H]1CC[C@H](N)CC1 |r,wU:26.28,wD:29.32,(30.94,-9.82,;29.4,-9.81,;28.64,-8.49,;29.54,-7.24,;28.63,-6,;27.17,-6.48,;25.83,-5.71,;25.82,-4.17,;27.15,-3.4,;28.49,-4.17,;29.82,-3.4,;29.82,-1.86,;28.47,-1.09,;27.14,-1.87,;31.15,-1.08,;31.03,-2.56,;31.14,.46,;32.48,-1.85,;33.81,-1.07,;35.15,-1.84,;33.8,-2.61,;33.81,.47,;24.5,-6.48,;24.5,-8.02,;25.83,-8.79,;27.17,-8.02,;23.17,-8.79,;23.17,-10.33,;21.82,-11.1,;20.49,-10.33,;19.16,-11.1,;20.49,-8.79,;21.82,-8.01,)|
Show InChI InChI=1S/C20H28N6O5P2/c1-2-26-11-22-17-19(24-18(25-20(17)26)13-3-5-14(21)6-4-13)23-15-7-9-16(10-8-15)32(27,28)12-33(29,30)31/h7-11,13-14H,2-6,12,21H2,1H3,(H,27,28)(H,23,24,25)(H2,29,30,31)/t13-,14-
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n/an/a 68n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.

Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))		BDBM81725
PNG
(2,6,9-Trisubstituted Purine, AP23517)
Show SMILES CCn1cnc2c(Nc3ccccc3)nc(nc12)[C@H]1CC[C@H](N)CC1 |r,wU:18.20,wD:21.24,(-4.33,-3.25,;-3.3,-2.11,;-3.77,-.64,;-2.87,.6,;-3.77,1.85,;-5.24,1.37,;-6.57,2.14,;-6.57,3.68,;-5.24,4.45,;-5.24,5.99,;-3.91,6.76,;-2.57,5.99,;-2.57,4.45,;-3.91,3.68,;-7.91,1.37,;-7.91,-.17,;-6.57,-.94,;-5.24,-.17,;-9.24,-.94,;-9.24,-2.48,;-10.57,-3.25,;-11.91,-2.48,;-13.24,-3.25,;-11.91,-.94,;-10.57,-.17,)|
Show InChI InChI=1S/C19H24N6/c1-2-25-12-21-16-18(22-15-6-4-3-5-7-15)23-17(24-19(16)25)13-8-10-14(20)11-9-13/h3-7,12-14H,2,8-11,20H2,1H3,(H,22,23,24)/t13-,14-
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n/an/a 73n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.

Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))		BDBM81723
PNG
(2,6,9-Trisubstituted Purine, 10)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(C[C@@H]3CC[C@H](N)CC3)nc12 |r,wD:25.25,28.29,(-4.33,-3.25,;-3.3,-2.11,;-3.77,-.64,;-2.87,.6,;-3.77,1.85,;-5.24,1.37,;-6.57,2.14,;-6.57,3.68,;-5.24,4.45,;-5.24,5.99,;-3.91,6.76,;-2.57,5.99,;-2.57,4.45,;-3.91,3.68,;-1.24,6.76,;-1.24,5.22,;-1.24,8.3,;.1,5.99,;1.43,6.76,;2.76,5.99,;1.43,5.22,;1.43,8.3,;-7.91,1.37,;-7.91,-.17,;-9.24,-.94,;-10.78,-.94,;-11.55,-2.27,;-13.09,-2.27,;-13.86,-.94,;-15.4,-.94,;-13.09,.4,;-11.55,.4,;-6.57,-.94,;-5.24,-.17,)|
Show InChI InChI=1S/C21H30N6O5P2/c1-2-27-12-23-19-20(25-18(26-21(19)27)11-14-3-5-15(22)6-4-14)24-16-7-9-17(10-8-16)33(28,29)13-34(30,31)32/h7-10,12,14-15H,2-6,11,13,22H2,1H3,(H,28,29)(H,24,25,26)(H2,30,31,32)/t14-,15+
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n/an/a 101n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.

Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))		BDBM81722
PNG
(2,6,9-Trisubstituted Purine, 9)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(C[C@H]3CC[C@H](N)CC3)nc12 |r,wU:25.25,wD:28.29,(-4.33,-3.25,;-3.3,-2.11,;-3.77,-.64,;-2.87,.6,;-3.77,1.85,;-5.24,1.37,;-6.57,2.14,;-6.57,3.68,;-5.24,4.45,;-5.24,5.99,;-3.91,6.76,;-2.57,5.99,;-2.57,4.45,;-3.91,3.68,;-1.24,6.76,;-1.24,5.22,;-1.24,8.3,;.1,5.99,;1.43,6.76,;2.76,5.99,;1.43,5.22,;1.43,8.3,;-7.91,1.37,;-7.91,-.17,;-9.24,-.94,;-10.78,-.94,;-11.55,-2.27,;-13.09,-2.27,;-13.86,-.94,;-15.4,-.94,;-13.09,.4,;-11.55,.4,;-6.57,-.94,;-5.24,-.17,)|
Show InChI InChI=1S/C21H30N6O5P2/c1-2-27-12-23-19-20(25-18(26-21(19)27)11-14-3-5-15(22)6-4-14)24-16-7-9-17(10-8-16)33(28,29)13-34(30,31)32/h7-10,12,14-15H,2-6,11,13,22H2,1H3,(H,28,29)(H,24,25,26)(H2,30,31,32)/t14-,15-
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n/an/a 205n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.

Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))		BDBM50318870
PNG
(((4-(2-(cis-4-aminocyclohexyl)-9-ethyl-9H-purin-6-...)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(nc12)[C@H]1CC[C@H](N)CC1 |r,wU:26.28,wD:29.32,(30.94,-9.82,;29.4,-9.81,;28.64,-8.49,;29.54,-7.24,;28.63,-6,;27.17,-6.48,;25.83,-5.71,;25.82,-4.17,;27.15,-3.4,;28.49,-4.17,;29.82,-3.4,;29.82,-1.86,;28.47,-1.09,;27.14,-1.87,;31.15,-1.08,;31.03,-2.56,;31.14,.46,;32.48,-1.85,;33.81,-1.07,;35.15,-1.84,;33.8,-2.61,;33.81,.47,;24.5,-6.48,;24.5,-8.02,;25.83,-8.79,;27.17,-8.02,;23.17,-8.79,;23.17,-10.33,;21.82,-11.1,;20.49,-10.33,;19.16,-11.1,;20.49,-8.79,;21.82,-8.01,)|
Show InChI InChI=1S/C20H28N6O5P2/c1-2-26-11-22-17-19(24-18(25-20(17)26)13-3-5-14(21)6-4-13)23-15-7-9-16(10-8-15)32(27,28)12-33(29,30)31/h7-11,13-14H,2-6,12,21H2,1H3,(H,27,28)(H,23,24,25)(H2,29,30,31)/t13-,14-
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n/an/a 273n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.

Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))		BDBM81718
PNG
(2,6,9-Trisubstituted Purine, 4)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(nc12)C1CCNCC1
Show InChI InChI=1S/C19H26N6O5P2/c1-2-25-11-21-16-18(23-17(24-19(16)25)13-7-9-20-10-8-13)22-14-3-5-15(6-4-14)31(26,27)12-32(28,29)30/h3-6,11,13,20H,2,7-10,12H2,1H3,(H,26,27)(H,22,23,24)(H2,28,29,30)
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n/an/a 665n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.

Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))		BDBM81720
PNG
(2,6,9-Trisubstituted Purine, 6)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(CCC3CCNCC3)nc12
Show InChI InChI=1S/C21H30N6O5P2/c1-2-27-13-23-19-20(25-18(26-21(19)27)8-3-15-9-11-22-12-10-15)24-16-4-6-17(7-5-16)33(28,29)14-34(30,31)32/h4-7,13,15,22H,2-3,8-12,14H2,1H3,(H,28,29)(H,24,25,26)(H2,30,31,32)
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n/an/a 1.01E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.

Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))		BDBM81724
PNG
(2,6,9-Trisubstituted Purine, 11)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(CCCCN)nc12
Show InChI InChI=1S/C18H26N6O5P2/c1-2-24-11-20-16-17(22-15(23-18(16)24)5-3-4-10-19)21-13-6-8-14(9-7-13)30(25,26)12-31(27,28)29/h6-9,11H,2-5,10,12,19H2,1H3,(H,25,26)(H,21,22,23)(H2,27,28,29)
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n/an/a 2.11E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.

Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))		BDBM81721
PNG
(2,6,9-Trisubstituted Purine, 7)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(CC3CCCNC3)nc12
Show InChI InChI=1S/C20H28N6O5P2/c1-2-26-12-22-18-19(24-17(25-20(18)26)10-14-4-3-9-21-11-14)23-15-5-7-16(8-6-15)32(27,28)13-33(29,30)31/h5-8,12,14,21H,2-4,9-11,13H2,1H3,(H,27,28)(H,23,24,25)(H2,29,30,31)
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n/an/a 2.30E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.

Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))		BDBM81719
PNG
(2,6,9-Trisubstituted Purine, 5)
Show SMILES CCn1cnc2c(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)nc(CC3CCNCC3)nc12
Show InChI InChI=1S/C20H28N6O5P2/c1-2-26-12-22-18-19(24-17(25-20(18)26)11-14-7-9-21-10-8-14)23-15-3-5-16(6-4-15)32(27,28)13-33(29,30)31/h3-6,12,14,21H,2,7-11,13H2,1H3,(H,27,28)(H,23,24,25)(H2,29,30,31)
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n/an/a 2.31E+3n/an/an/an/an/an/a



ARIAD Pharmaceuticals, Inc.



Assay Description
2,6,9-Trisubstituted purines were evaluated for their src kinase inhibitory activities using an ELISA assay.

Chem Biol Drug Des 71: 97-105 (2008)


Article DOI: 10.1111/j.1747-0285.2007.00615.x
BindingDB Entry DOI: 10.7270/Q2FF3QTQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%