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PubMed code 15080999

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


(Homo sapiens (Human))
BDBM6558
PNG
(3-quinolinecarbonitrile deriv. 26 | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4cccnc4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H18Cl2N4O2/c1-32-23-9-18-21(8-16(23)6-5-15-4-3-7-29-13-15)30-14-17(12-28)25(18)31-22-11-24(33-2)20(27)10-19(22)26/h3-11,13-14H,1-2H3,(H,30,31)/b6-5+
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Article
PubMed
n/an/a 8.40n/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...


Bioorg Med Chem Lett 14: 2155-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.035
BindingDB Entry DOI: 10.7270/Q2R49P0H
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6551
PNG
(3-quinolinecarbonitrile deriv. 19 | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4cccnc4)ccc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H16Cl2N4O/c1-31-23-11-22(19(25)10-20(23)26)30-24-17(12-27)14-29-21-9-15(6-7-18(21)24)4-5-16-3-2-8-28-13-16/h2-11,13-14H,1H3,(H,29,30)/b5-4+
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Article
PubMed
n/an/a 15n/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...


Bioorg Med Chem Lett 14: 2155-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.035
BindingDB Entry DOI: 10.7270/Q2R49P0H
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6550
PNG
(3-quinolinecarbonitrile deriv. 18 | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4ccccn4)ccc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H16Cl2N4O/c1-31-23-12-22(19(25)11-20(23)26)30-24-16(13-27)14-29-21-10-15(6-8-18(21)24)5-7-17-4-2-3-9-28-17/h2-12,14H,1H3,(H,29,30)/b7-5+
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Article
PubMed
n/an/a 19n/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...


Bioorg Med Chem Lett 14: 2155-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.035
BindingDB Entry DOI: 10.7270/Q2R49P0H
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6559
PNG
(3-quinolinecarbonitrile deriv. 28 | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(C#Cc4ccccc4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H17Cl2N3O2/c1-32-24-11-19-22(10-17(24)9-8-16-6-4-3-5-7-16)30-15-18(14-29)26(19)31-23-13-25(33-2)21(28)12-20(23)27/h3-7,10-13,15H,1-2H3,(H,30,31)
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Article
PubMed
n/an/a 57n/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...


Bioorg Med Chem Lett 14: 2155-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.035
BindingDB Entry DOI: 10.7270/Q2R49P0H
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6557
PNG
(3-quinolinecarbonitrile deriv. 25 | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(\C=C\c4ccccc4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H19Cl2N3O2/c1-32-24-11-19-22(10-17(24)9-8-16-6-4-3-5-7-16)30-15-18(14-29)26(19)31-23-13-25(33-2)21(28)12-20(23)27/h3-13,15H,1-2H3,(H,30,31)/b9-8+
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Article
PubMed
n/an/a 65n/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...


Bioorg Med Chem Lett 14: 2155-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.035
BindingDB Entry DOI: 10.7270/Q2R49P0H
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6555
PNG
(3-quinolinecarbonitrile deriv. 23 | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)C#Cc2ccncc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H14Cl2N4O/c1-31-23-12-22(19(25)11-20(23)26)30-24-17(13-27)14-29-21-10-16(4-5-18(21)24)3-2-15-6-8-28-9-7-15/h4-12,14H,1H3,(H,29,30)
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PC sid
UniChem

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Article
PubMed
n/an/a 83n/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...


Bioorg Med Chem Lett 14: 2155-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.035
BindingDB Entry DOI: 10.7270/Q2R49P0H
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6552
PNG
(3-quinolinecarbonitrile deriv. 20 | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)C#Cc2ccccc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C25H15Cl2N3O/c1-31-24-13-23(20(26)12-21(24)27)30-25-18(14-28)15-29-22-11-17(9-10-19(22)25)8-7-16-5-3-2-4-6-16/h2-6,9-13,15H,1H3,(H,29,30)
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UniChem

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Article
PubMed
n/an/a 320n/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...


Bioorg Med Chem Lett 14: 2155-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.035
BindingDB Entry DOI: 10.7270/Q2R49P0H
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6553
PNG
(3-quinolinecarbonitrile deriv. 21 | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)C#Cc2ccc(cc2)-c2ccccc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C31H19Cl2N3O/c1-37-30-17-29(26(32)16-27(30)33)36-31-24(18-34)19-35-28-15-21(11-14-25(28)31)8-7-20-9-12-23(13-10-20)22-5-3-2-4-6-22/h2-6,9-17,19H,1H3,(H,35,36)
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PC sid
UniChem

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Article
PubMed
n/an/a 420n/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...


Bioorg Med Chem Lett 14: 2155-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.035
BindingDB Entry DOI: 10.7270/Q2R49P0H
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6556
PNG
(3-quinolinecarbonitrile deriv. 24 | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(CCc4ccncc4)ccc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H18Cl2N4O/c1-31-23-12-22(19(25)11-20(23)26)30-24-17(13-27)14-29-21-10-16(4-5-18(21)24)3-2-15-6-8-28-9-7-15/h4-12,14H,2-3H2,1H3,(H,29,30)
PDB
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Article
PubMed
n/an/a 440n/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...


Bioorg Med Chem Lett 14: 2155-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.035
BindingDB Entry DOI: 10.7270/Q2R49P0H
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6554
PNG
(3-quinolinecarbonitrile deriv. 22 | 4-[(2,4-dichlo...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)C#Cc2ccccn2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C24H14Cl2N4O/c1-31-23-12-22(19(25)11-20(23)26)30-24-16(13-27)14-29-21-10-15(6-8-18(21)24)5-7-17-4-2-3-9-28-17/h2-4,6,8-12,14H,1H3,(H,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 530n/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...


Bioorg Med Chem Lett 14: 2155-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.035
BindingDB Entry DOI: 10.7270/Q2R49P0H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%