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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with Target = 'Neuronal proto-oncogene tyrosine-protein kinase Src' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
Neuronal 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
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.


Citation and Details
More data for this
Ligand-Target Pair
Neuronal 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
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.


Citation and Details
More data for this
Ligand-Target Pair
Neuronal 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
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.


Citation and Details
More data for this
Ligand-Target Pair
Neuronal 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
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.


Citation and Details
More data for this
Ligand-Target Pair
Neuronal 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
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.


Citation and Details
More data for this
Ligand-Target Pair
Neuronal 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.


Citation and Details
More data for this
Ligand-Target Pair
Neuronal 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.


Citation and Details
More data for this
Ligand-Target Pair
Neuronal 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.


Citation and Details
More data for this
Ligand-Target Pair
Neuronal 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.


Citation and Details
More data for this
Ligand-Target Pair
Neuronal 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.


Citation and Details
More data for this
Ligand-Target Pair
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM50384721
PNG
(CHEMBL2037224)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc(Nc3ccc4\C(=C\c5ccc[nH]5)C(=O)Nc4c3)c2)c1
Show InChI InChI=1S/C27H20F3N5O2/c28-27(29,30)16-4-1-5-18(12-16)33-26(37)34-20-7-2-6-19(13-20)32-21-9-10-22-23(14-17-8-3-11-31-17)25(36)35-24(22)15-21/h1-15,31-32H,(H,35,36)(H2,33,34,37)/b23-14-
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n/an/a 2.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Tel-fused SRC in mouse BA/F3 cells


Citation and Details
More data for this
Ligand-Target Pair
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM50384734
PNG
(CHEMBL2037211)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1
Show InChI InChI=1S/C32H29F3N6O2/c1-40-10-12-41(13-11-40)26-15-20(14-21(16-26)32(33,34)35)30(42)38-24-5-2-4-23(17-24)37-25-7-8-27-28(18-22-6-3-9-36-22)31(43)39-29(27)19-25/h2-9,14-19,36-37H,10-13H2,1H3,(H,38,42)(H,39,43)/b28-18-
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n/an/a 5.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Tel-fused SRC in mouse BA/F3 cells


Citation and Details
More data for this
Ligand-Target Pair
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM50384726
PNG
(CHEMBL2037208)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1
Show InChI InChI=1S/C27H19F3N4O2/c28-27(29,30)17-5-1-4-16(12-17)25(35)33-20-7-2-6-19(13-20)32-21-9-10-22-23(14-18-8-3-11-31-18)26(36)34-24(22)15-21/h1-15,31-32H,(H,33,35)(H,34,36)/b23-14-
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n/an/a 5.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Tel-fused SRC in mouse BA/F3 cells


Citation and Details
More data for this
Ligand-Target Pair
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM50384725
PNG
(CHEMBL2037209)
Show SMILES Cc1cn(cn1)-c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1
Show InChI InChI=1S/C31H23F3N6O2/c1-18-16-40(17-36-18)25-11-19(10-20(12-25)31(32,33)34)29(41)38-23-5-2-4-22(13-23)37-24-7-8-26-27(14-21-6-3-9-35-21)30(42)39-28(26)15-24/h2-17,35,37H,1H3,(H,38,41)(H,39,42)/b27-14-
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n/an/a 5.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Tel-fused SRC in mouse BA/F3 cells


Citation and Details
More data for this
Ligand-Target Pair
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM50384727
PNG
(CHEMBL2037226)
Show SMILES Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C28H21F4N5O2/c1-15-4-6-19(35-27(39)37-25-11-16(28(30,31)32)5-9-22(25)29)13-23(15)34-18-7-8-20-21(12-17-3-2-10-33-17)26(38)36-24(20)14-18/h2-14,33-34H,1H3,(H,36,38)(H2,35,37,39)/b21-12-
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n/an/a 7.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Tel-fused SRC in mouse BA/F3 cells


Citation and Details
More data for this
Ligand-Target Pair
Neuronal proto-oncogene tyrosine-protein kinase Src


(Mus musculus (Mouse))
BDBM50384720
PNG
(CHEMBL2037220)
Show SMILES CN1CCN(CC1)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1cccc(Nc2ccc3\C(=C\c4cc(c[nH]4)C(O)=O)C(=O)Nc3c2)c1
Show InChI InChI=1S/C33H29F3N6O4/c1-41-7-9-42(10-8-41)26-13-19(11-21(14-26)33(34,35)36)30(43)39-23-4-2-3-22(15-23)38-24-5-6-27-28(31(44)40-29(27)17-24)16-25-12-20(18-37-25)32(45)46/h2-6,11-18,37-38H,7-10H2,1H3,(H,39,43)(H,40,44)(H,45,46)/b28-16-
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Tel-fused SRC in mouse BA/F3 cells


Citation and Details
More data for this
Ligand-Target Pair