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PubMed code 16125383

Compile data set for download or QSAR
Found 12 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


(Homo sapiens (Human))
BDBM6088
PNG
(7-[(2,4-Dichloro-5-methoxyphenyl)amino]-2-{5-[(4-m...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2csc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H23Cl2N5OS2/c1-31-3-5-32(6-4-31)13-17-7-15(14-34-17)23-10-21-25(35-23)24(16(11-28)12-29-21)30-20-9-22(33-2)19(27)8-18(20)26/h7-10,12,14H,3-6,13H2,1-2H3,(H,29,30)
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n/an/a 7.20n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 4681-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.061
BindingDB Entry DOI: 10.7270/Q23J3B44
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6457
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{5-[(dim...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN(C)C)cn2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C23H19Cl2N5OS/c1-30(2)12-13-4-5-17(27-10-13)21-8-19-23(32-21)22(14(9-26)11-28-19)29-18-7-20(31-3)16(25)6-15(18)24/h4-8,10-11H,12H2,1-3H3,(H,28,29)
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 4681-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.061
BindingDB Entry DOI: 10.7270/Q23J3B44
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6451
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{5-[(4-m...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2coc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H23Cl2N5O2S/c1-31-3-5-32(6-4-31)13-17-7-15(14-34-17)23-10-21-25(35-23)24(16(11-28)12-29-21)30-20-9-22(33-2)19(27)8-18(20)26/h7-10,12,14H,3-6,13H2,1-2H3,(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 4681-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.061
BindingDB Entry DOI: 10.7270/Q23J3B44
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6454
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{5-[(4-m...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCN(C)CC3)cn2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H24Cl2N6OS/c1-33-5-7-34(8-6-33)15-16-3-4-20(30-13-16)24-11-22-26(36-24)25(17(12-29)14-31-22)32-21-10-23(35-2)19(28)9-18(21)27/h3-4,9-11,13-14H,5-8,15H2,1-2H3,(H,31,32)
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n/an/a 13n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 4681-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.061
BindingDB Entry DOI: 10.7270/Q23J3B44
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6458
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{5-[(4-m...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(cn2)C(=O)N2CCN(C)CC2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H22Cl2N6O2S/c1-33-5-7-34(8-6-33)26(35)15-3-4-19(30-13-15)23-11-21-25(37-23)24(16(12-29)14-31-21)32-20-10-22(36-2)18(28)9-17(20)27/h3-4,9-11,13-14H,5-8H2,1-2H3,(H,31,32)
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n/an/a 14n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 4681-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.061
BindingDB Entry DOI: 10.7270/Q23J3B44
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6092
PNG
(7-[(2,4-Dichloro-5-methoxyphenyl)amino]-2-{5-[(4-m...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCN(C)CC3)s2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H23Cl2N5OS2/c1-31-5-7-32(8-6-31)14-16-3-4-22(34-16)23-11-20-25(35-23)24(15(12-28)13-29-20)30-19-10-21(33-2)18(27)9-17(19)26/h3-4,9-11,13H,5-8,14H2,1-2H3,(H,29,30)
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n/an/a 25n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 4681-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.061
BindingDB Entry DOI: 10.7270/Q23J3B44
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6459
PNG
(7-[(2,4-dichlorophenyl)amino]-2-{5-[(4-methylpiper...)
Show SMILES CN1CCN(Cc2ccc(nc2)-c2cc3ncc(C#N)c(Nc4ccc(Cl)cc4Cl)c3s2)CC1
Show InChI InChI=1S/C25H22Cl2N6S/c1-32-6-8-33(9-7-32)15-16-2-4-21(29-13-16)23-11-22-25(34-23)24(17(12-28)14-30-22)31-20-5-3-18(26)10-19(20)27/h2-5,10-11,13-14H,6-9,15H2,1H3,(H,30,31)
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n/an/a 47n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 4681-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.061
BindingDB Entry DOI: 10.7270/Q23J3B44
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6455
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{6-[(4-m...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2cccc(CN3CCN(C)CC3)n2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H24Cl2N6OS/c1-33-6-8-34(9-7-33)15-17-4-3-5-20(31-17)24-12-22-26(36-24)25(16(13-29)14-30-22)32-21-11-23(35-2)19(28)10-18(21)27/h3-5,10-12,14H,6-9,15H2,1-2H3,(H,30,32)
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PubMed
n/an/a 51n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 4681-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.061
BindingDB Entry DOI: 10.7270/Q23J3B44
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6452
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{5-[(4-m...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCN(C)CC3)o2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H23Cl2N5O2S/c1-31-5-7-32(8-6-31)14-16-3-4-21(34-16)23-11-20-25(35-23)24(15(12-28)13-29-20)30-19-10-22(33-2)18(27)9-17(19)26/h3-4,9-11,13H,5-8,14H2,1-2H3,(H,29,30)
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PubMed
n/an/a 52n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 4681-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.061
BindingDB Entry DOI: 10.7270/Q23J3B44
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6453
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{2-[(4-m...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2csc(CN3CCN(C)CC3)n2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H22Cl2N6OS2/c1-31-3-5-32(6-4-31)12-22-29-19(13-34-22)21-9-18-24(35-21)23(14(10-27)11-28-18)30-17-8-20(33-2)16(26)7-15(17)25/h7-9,11,13H,3-6,12H2,1-2H3,(H,28,30)
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n/an/a 56n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 4681-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.061
BindingDB Entry DOI: 10.7270/Q23J3B44
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6448
PNG
(7-{[(2,4-dichlorophenyl)methyl]amino}-2-{4-[(4-met...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3ncc(C#N)c(NCc4ccc(Cl)cc4Cl)c3s2)CC1
Show InChI InChI=1S/C27H25Cl2N5S/c1-33-8-10-34(11-9-33)17-18-2-4-19(5-3-18)25-13-24-27(35-25)26(21(14-30)16-31-24)32-15-20-6-7-22(28)12-23(20)29/h2-7,12-13,16H,8-11,15,17H2,1H3,(H,31,32)
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n/an/a 240n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 4681-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.061
BindingDB Entry DOI: 10.7270/Q23J3B44
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6456
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-[3-(4-me...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)C#CCN2CCN(C)CC2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C23H21Cl2N5OS/c1-29-6-8-30(9-7-29)5-3-4-16-10-20-23(32-16)22(15(13-26)14-27-20)28-19-12-21(31-2)18(25)11-17(19)24/h10-12,14H,5-9H2,1-2H3,(H,27,28)
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n/an/a 300n/an/an/an/an/an/a



Wyeth Research



Assay Description
Kinase assays were performed using the europium/APC detection format (LANCE, Perkin Elmer). HTRF is based on the proximity of europium cryptate (dono...


Bioorg Med Chem Lett 15: 4681-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.061
BindingDB Entry DOI: 10.7270/Q23J3B44
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%