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PubMed code 17181170

Compile data set for download or QSAR
Found 13 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))
BDBM13052
PNG
(3-quinolinecarbonitrile analog 22 | 4-[(2,4-Dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(-c4coc(CN(C)C)c4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H22Cl2N4O3/c1-31(2)12-16-5-14(13-34-16)17-6-21-18(7-23(17)32-3)25(15(10-28)11-29-21)30-22-9-24(33-4)20(27)8-19(22)26/h5-9,11,13H,12H2,1-4H3,(H,29,30)
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n/an/a 0.75n/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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13047
PNG
(3-quinolinecarbonitrile analog 10 | 4-[(2,4-Dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(-c4coc(CN5CCN(C)CC5)c4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H27Cl2N5O3/c1-34-4-6-35(7-5-34)15-19-8-17(16-38-19)20-9-24-21(10-26(20)36-2)28(18(13-31)14-32-24)33-25-12-27(37-3)23(30)11-22(25)29/h8-12,14,16H,4-7,15H2,1-3H3,(H,32,33)
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n/an/a 0.780n/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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13051
PNG
(3-quinolinecarbonitrile analog 21 | 4-[(2,4-Dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(-c4coc(CN5CCOCC5)c4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H24Cl2N4O4/c1-34-25-9-20-23(8-19(25)16-7-18(37-15-16)14-33-3-5-36-6-4-33)31-13-17(12-30)27(20)32-24-11-26(35-2)22(29)10-21(24)28/h7-11,13,15H,3-6,14H2,1-2H3,(H,31,32)
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n/an/a 1.5n/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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6114
PNG
(3-quinolinecarbonitrile analog 2b | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(C)CC3)s2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl2N5OS/c1-33-7-9-34(10-8-33)16-19-4-6-26(36-19)17-3-5-20-23(11-17)31-15-18(14-30)27(20)32-24-13-25(35-2)22(29)12-21(24)28/h3-6,11-13,15H,7-10,16H2,1-2H3,(H,31,32)
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PubMed
n/an/a 2.30n/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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13045
PNG
(3-quinolinecarbonitrile analog 5 | 4-[(2,4-Dichlor...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2coc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl2N5O2/c1-33-5-7-34(8-6-33)15-20-9-18(16-36-20)17-3-4-21-24(10-17)31-14-19(13-30)27(21)32-25-12-26(35-2)23(29)11-22(25)28/h3-4,9-12,14,16H,5-8,15H2,1-2H3,(H,31,32)
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n/an/a 2.70n/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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13053
PNG
(3-quinolinecarbonitrile analog 23 | 4-[(2,4-Dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(-c4coc(CN5CCN(CC5)c5ccccc5)c4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C33H29Cl2N5O3/c1-41-31-14-26-29(37-18-22(17-36)33(26)38-30-16-32(42-2)28(35)15-27(30)34)13-25(31)21-12-24(43-20-21)19-39-8-10-40(11-9-39)23-6-4-3-5-7-23/h3-7,12-16,18,20H,8-11,19H2,1-2H3,(H,37,38)
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n/an/a 3.60n/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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6112
PNG
(3-quinolinecarbonitrile analog 2a | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2csc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl2N5OS/c1-33-5-7-34(8-6-33)15-20-9-18(16-36-20)17-3-4-21-24(10-17)31-14-19(13-30)27(21)32-25-12-26(35-2)23(29)11-22(25)28/h3-4,9-12,14,16H,5-8,15H2,1-2H3,(H,31,32)
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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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6493
PNG
(3-quinolinecarbonitrile analog 2c | 4-Anilino-7-ph...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(C)CC3)cc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H27Cl2N5O/c1-35-9-11-36(12-10-35)18-19-3-5-20(6-4-19)21-7-8-23-26(13-21)33-17-22(16-32)29(23)34-27-15-28(37-2)25(31)14-24(27)30/h3-8,13-15,17H,9-12,18H2,1-2H3,(H,33,34)
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PubMed
n/an/a 5n/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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13046
PNG
(3-quinolinecarbonitrile analog 7 | 4-[(2,4-Dichlor...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(C)CC3)o2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl2N5O2/c1-33-7-9-34(10-8-33)16-19-4-6-25(36-19)17-3-5-20-23(11-17)31-15-18(14-30)27(20)32-24-13-26(35-2)22(29)12-21(24)28/h3-6,11-13,15H,7-10,16H2,1-2H3,(H,31,32)
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n/an/a 7.5n/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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13049
PNG
(3-quinolinecarbonitrile analog 17 | 4-[(2,4-Dichlo...)
Show SMILES CN1CCN(Cc2cc(co2)-c2ccc3c(Nc4ccc(Cl)cc4Cl)c(cnc3c2)C#N)CC1
Show InChI InChI=1S/C26H23Cl2N5O/c1-32-6-8-33(9-7-32)15-21-10-18(16-34-21)17-2-4-22-25(11-17)30-14-19(13-29)26(22)31-24-5-3-20(27)12-23(24)28/h2-5,10-12,14,16H,6-9,15H2,1H3,(H,30,31)
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PubMed
n/an/a 11n/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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13048
PNG
(3-quinolinecarbonitrile analog 15 | 4-[(2,4-Dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(-c4ccc(CN5CCN(C)CC5)o4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H27Cl2N5O3/c1-34-6-8-35(9-7-34)16-18-4-5-25(38-18)20-10-23-19(11-26(20)36-2)28(17(14-31)15-32-23)33-24-13-27(37-3)22(30)12-21(24)29/h4-5,10-13,15H,6-9,16H2,1-3H3,(H,32,33)
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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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13050
PNG
(3-quinolinecarbonitrile analog 20 | 4-[(2,4-Dichlo...)
Show SMILES COc1cc(Nc2c(cnc3ccc(cc23)-c2coc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C27H25Cl2N5O2/c1-33-5-7-34(8-6-33)15-20-9-18(16-36-20)17-3-4-24-21(10-17)27(19(13-30)14-31-24)32-25-12-26(35-2)23(29)11-22(25)28/h3-4,9-12,14,16H,5-8,15H2,1-2H3,(H,31,32)
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PubMed
n/an/a 84n/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 49: 7868-76 (2006)


Article DOI: 10.1021/jm061031t
BindingDB Entry DOI: 10.7270/Q28K779J
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%