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PubMed code 15615514

Compile data set for download or QSAR
Found 11 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))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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Article
PubMed
n/an/a 3.80n/an/an/an/a7.537



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...


J Med Chem 47: 6666-8 (2004)


Article DOI: 10.1021/jm049237m
BindingDB Entry DOI: 10.7270/Q2CV4FXN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6071
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{4-[(4-m...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCN(C)CC3)cc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl2N5OS/c1-33-7-9-34(10-8-33)16-17-3-5-18(6-4-17)25-13-23-27(36-25)26(19(14-30)15-31-23)32-22-12-24(35-2)21(29)11-20(22)28/h3-6,11-13,15H,7-10,16H2,1-2H3,(H,31,32)
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PubMed
n/an/a 13n/an/an/an/a7.537



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...


J Med Chem 47: 6666-8 (2004)


Article DOI: 10.1021/jm049237m
BindingDB Entry DOI: 10.7270/Q2CV4FXN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6442
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{3-[(4-m...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2cccc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl2N5OS/c1-33-6-8-34(9-7-33)16-17-4-3-5-18(10-17)25-13-23-27(36-25)26(19(14-30)15-31-23)32-22-12-24(35-2)21(29)11-20(22)28/h3-5,10-13,15H,6-9,16H2,1-2H3,(H,31,32)
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PubMed
n/an/a 21n/an/an/an/a7.537



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...


J Med Chem 47: 6666-8 (2004)


Article DOI: 10.1021/jm049237m
BindingDB Entry DOI: 10.7270/Q2CV4FXN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6441
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-[4-(morp...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2ccc(CN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H22Cl2N4O2S/c1-33-23-11-21(19(27)10-20(23)28)31-25-18(13-29)14-30-22-12-24(35-26(22)25)17-4-2-16(3-5-17)15-32-6-8-34-9-7-32/h2-5,10-12,14H,6-9,15H2,1H3,(H,30,31)
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PubMed
n/an/a 34n/an/an/an/a7.537



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...


J Med Chem 47: 6666-8 (2004)


Article DOI: 10.1021/jm049237m
BindingDB Entry DOI: 10.7270/Q2CV4FXN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6084
PNG
(7-[(2,4-dichlorophenyl)amino]-2-{4-[(4-methylpiper...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3ncc(C#N)c(Nc4ccc(Cl)cc4Cl)c3s2)CC1
Show InChI InChI=1S/C26H23Cl2N5S/c1-32-8-10-33(11-9-32)16-17-2-4-18(5-3-17)24-13-23-26(34-24)25(19(14-29)15-30-23)31-22-7-6-20(27)12-21(22)28/h2-7,12-13,15H,8-11,16H2,1H3,(H,30,31)
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n/an/a 50n/an/an/an/a7.537



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...


J Med Chem 47: 6666-8 (2004)


Article DOI: 10.1021/jm049237m
BindingDB Entry DOI: 10.7270/Q2CV4FXN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6439
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-phenylth...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2ccccc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C21H13Cl2N3OS/c1-27-18-8-16(14(22)7-15(18)23)26-20-13(10-24)11-25-17-9-19(28-21(17)20)12-5-3-2-4-6-12/h2-9,11H,1H3,(H,25,26)
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PubMed
n/an/a 250n/an/an/an/a7.537



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...


J Med Chem 47: 6666-8 (2004)


Article DOI: 10.1021/jm049237m
BindingDB Entry DOI: 10.7270/Q2CV4FXN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6447
PNG
(7-(2,4-dichlorophenoxy)-2-{4-[(4-methylpiperazin-1...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cc3ncc(C#N)c(Oc4ccc(Cl)cc4Cl)c3s2)CC1
Show InChI InChI=1S/C26H22Cl2N4OS/c1-31-8-10-32(11-9-31)16-17-2-4-18(5-3-17)24-13-22-26(34-24)25(19(14-29)15-30-22)33-23-7-6-20(27)12-21(23)28/h2-7,12-13,15H,8-11,16H2,1H3
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n/an/a 580n/an/an/an/a7.537



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...


J Med Chem 47: 6666-8 (2004)


Article DOI: 10.1021/jm049237m
BindingDB Entry DOI: 10.7270/Q2CV4FXN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6445
PNG
(4-[(2,4-dichloro-5-methoxyphenyl)amino]-2-[4-(morp...)
Show SMILES COc1cc(Nc2c(cnc3sc(cc23)-c2ccc(CN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H22Cl2N4O2S/c1-33-23-12-22(20(27)11-21(23)28)31-25-18(13-29)14-30-26-19(25)10-24(35-26)17-4-2-16(3-5-17)15-32-6-8-34-9-7-32/h2-5,10-12,14H,6-9,15H2,1H3,(H,30,31)
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PubMed
n/an/a 830n/an/an/an/a7.537



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...


J Med Chem 47: 6666-8 (2004)


Article DOI: 10.1021/jm049237m
BindingDB Entry DOI: 10.7270/Q2CV4FXN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6438
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]thieno[3,2-...)
Show SMILES COc1cc(Nc2c(cnc3ccsc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C15H9Cl2N3OS/c1-21-13-5-12(9(16)4-10(13)17)20-14-8(6-18)7-19-11-2-3-22-15(11)14/h2-5,7H,1H3,(H,19,20)
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PubMed
n/an/a 2.50E+3n/an/an/an/a7.537



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...


J Med Chem 47: 6666-8 (2004)


Article DOI: 10.1021/jm049237m
BindingDB Entry DOI: 10.7270/Q2CV4FXN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6443
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-{2-[(4-m...)
Show SMILES COc1cc(Nc2c(cnc3cc(sc23)-c2ccccc2CN2CCN(C)CC2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl2N5OS/c1-33-7-9-34(10-8-33)16-17-5-3-4-6-19(17)25-13-23-27(36-25)26(18(14-30)15-31-23)32-22-12-24(35-2)21(29)11-20(22)28/h3-6,11-13,15H,7-10,16H2,1-2H3,(H,31,32)
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PubMed
n/an/a>1.00E+4n/an/an/an/a7.537



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...


J Med Chem 47: 6666-8 (2004)


Article DOI: 10.1021/jm049237m
BindingDB Entry DOI: 10.7270/Q2CV4FXN
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6444
PNG
(7-[(2,4-dichloro-5-methoxyphenyl)amino]-3-[4-(morp...)
Show SMILES COc1cc(Nc2c(cnc3c(csc23)-c2ccc(CN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H22Cl2N4O2S/c1-33-23-11-22(20(27)10-21(23)28)31-24-18(12-29)13-30-25-19(15-35-26(24)25)17-4-2-16(3-5-17)14-32-6-8-34-9-7-32/h2-5,10-11,13,15H,6-9,14H2,1H3,(H,30,31)
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PubMed
n/an/a>1.00E+4n/an/an/an/a7.537



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...


J Med Chem 47: 6666-8 (2004)


Article DOI: 10.1021/jm049237m
BindingDB Entry DOI: 10.7270/Q2CV4FXN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%