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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 835   
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))
BDBM6479
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc2cc3c(Nc4cc(OC)c(OC)c(OC)c4)c(cnc3cc2cc1OCCN1CCOCC1)C#N
Show InChI InChI=1S/C30H32N4O6/c1-35-25-13-19-11-23-24(12-20(19)14-26(25)40-10-7-34-5-8-39-9-6-34)32-18-21(17-31)29(23)33-22-15-27(36-2)30(38-4)28(16-22)37-3/h11-16,18H,5-10H2,1-4H3,(H,32,33)
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n/an/a 0.220n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6478
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc2cc3c(Nc4cc(OC)c(OC)c(OC)c4)c(cnc3cc2cc1OCCN1CCN(C)CC1)C#N
Show InChI InChI=1S/C31H35N5O5/c1-35-6-8-36(9-7-35)10-11-41-27-15-21-13-25-24(12-20(21)14-26(27)37-2)30(22(18-32)19-33-25)34-23-16-28(38-3)31(40-5)29(17-23)39-4/h12-17,19H,6-11H2,1-5H3,(H,33,34)
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n/an/a 0.690n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6480
PNG
(4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonit...)
Show SMILES COc1cc2cc3c(Nc4ccc(Cl)cc4Cl)c(cnc3cc2cc1OCCN1CCOCC1)C#N
Show InChI InChI=1S/C27H24Cl2N4O3/c1-34-25-12-17-10-21-24(11-18(17)13-26(25)36-9-6-33-4-7-35-8-5-33)31-16-19(15-30)27(21)32-23-3-2-20(28)14-22(23)29/h2-3,10-14,16H,4-9H2,1H3,(H,31,32)
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n/an/a 2n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6488
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15h | 4...)
Show SMILES CCN1CCN(Cc2ccc(cc2)-c2ccc3c(Nc4cc(OC)c(Cl)cc4Cl)c(cnc3c2)C#N)CC1
Show InChI InChI=1S/C30H29Cl2N5O/c1-3-36-10-12-37(13-11-36)19-20-4-6-21(7-5-20)22-8-9-24-27(14-22)34-18-23(17-33)30(24)35-28-16-29(38-2)26(32)15-25(28)31/h4-9,14-16,18H,3,10-13,19H2,1-2H3,(H,34,35)
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n/an/a 3n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6487
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15g | 4...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H24Cl2N4O2/c1-35-27-14-26(23(29)13-24(27)30)33-28-21(15-31)16-32-25-12-20(6-7-22(25)28)19-4-2-18(3-5-19)17-34-8-10-36-11-9-34/h2-7,12-14,16H,8-11,17H2,1H3,(H,32,33)
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n/an/a 3.30n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6491
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15k | 4...)
Show SMILES CCN1CCN(CCc2ccc(cc2)-c2ccc3c(Nc4cc(OC)c(Cl)cc4Cl)c(cnc3c2)C#N)CC1
Show InChI InChI=1S/C31H31Cl2N5O/c1-3-37-12-14-38(15-13-37)11-10-21-4-6-22(7-5-21)23-8-9-25-28(16-23)35-20-24(19-34)31(25)36-29-18-30(39-2)27(33)17-26(29)32/h4-9,16-18,20H,3,10-15H2,1-2H3,(H,35,36)
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n/an/a 3.70n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
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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n/an/a 3.80n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6494
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15n | 4...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CN3CCN(CCO)CC3)cc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C30H29Cl2N5O2/c1-39-29-16-28(25(31)15-26(29)32)35-30-23(17-33)18-34-27-14-22(6-7-24(27)30)21-4-2-20(3-5-21)19-37-10-8-36(9-11-37)12-13-38/h2-7,14-16,18,38H,8-13,19H2,1H3,(H,34,35)
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n/an/a 4.70n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6483
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15c | 4...)
Show SMILES CCN1CCN(Cc2ccc(cc2)-c2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3cc2OC)CC1
Show InChI InChI=1S/C31H31Cl2N5O2/c1-4-37-9-11-38(12-10-37)19-20-5-7-21(8-6-20)23-13-27-24(14-29(23)39-2)31(22(17-34)18-35-27)36-28-16-30(40-3)26(33)15-25(28)32/h5-8,13-16,18H,4,9-12,19H2,1-3H3,(H,35,36)
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n/an/a 7n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6485
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15e | 4...)
Show SMILES COc1cc(Nc2c(cnc3cc(c(OC)cc23)-c2ccc(CCN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C30H28Cl2N4O3/c1-37-28-14-23-26(13-22(28)20-5-3-19(4-6-20)7-8-36-9-11-39-12-10-36)34-18-21(17-33)30(23)35-27-16-29(38-2)25(32)15-24(27)31/h3-6,13-16,18H,7-12H2,1-2H3,(H,34,35)
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n/an/a 11n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6490
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15j | 4...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccc(CCN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H26Cl2N4O2/c1-36-28-16-27(24(30)15-25(28)31)34-29-22(17-32)18-33-26-14-21(6-7-23(26)29)20-4-2-19(3-5-20)8-9-35-10-12-37-13-11-35/h2-7,14-16,18H,8-13H2,1H3,(H,33,34)
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n/an/a 14n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6492
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15l | 4...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2cccc(CN3CCN(C)CC3)c2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H27Cl2N5O/c1-35-8-10-36(11-9-35)18-19-4-3-5-20(12-19)21-6-7-23-26(13-21)33-17-22(16-32)29(23)34-27-15-28(37-2)25(31)14-24(27)30/h3-7,12-15,17H,8-11,18H2,1-2H3,(H,33,34)
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n/an/a 14n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6482
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15b | 4...)
Show SMILES COc1cc(Nc2c(cnc3cc(c(OC)cc23)-c2ccc(CN3CCOCC3)cc2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H26Cl2N4O3/c1-36-27-12-22-25(11-21(27)19-5-3-18(4-6-19)17-35-7-9-38-10-8-35)33-16-20(15-32)29(22)34-26-14-28(37-2)24(31)13-23(26)30/h3-6,11-14,16H,7-10,17H2,1-2H3,(H,33,34)
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n/an/a 15n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6486
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15f | 4...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2cccc(CN3CCOCC3)c2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H24Cl2N4O2/c1-35-27-14-26(23(29)13-24(27)30)33-28-21(15-31)16-32-25-12-20(5-6-22(25)28)19-4-2-3-18(11-19)17-34-7-9-36-10-8-34/h2-6,11-14,16H,7-10,17H2,1H3,(H,32,33)
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n/an/a 28n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6489
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15i | 4...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2cccc(CCN3CCOCC3)c2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H26Cl2N4O2/c1-36-28-16-27(24(30)15-25(28)31)34-29-22(17-32)18-33-26-14-21(5-6-23(26)29)20-4-2-3-19(13-20)7-8-35-9-11-37-12-10-35/h2-6,13-16,18H,7-12H2,1H3,(H,33,34)
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n/an/a 29n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6484
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15d | 4...)
Show SMILES COc1cc(Nc2c(cnc3cc(c(OC)cc23)-c2cccc(CCN3CCOCC3)c2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C30H28Cl2N4O3/c1-37-28-14-23-26(13-22(28)20-5-3-4-19(12-20)6-7-36-8-10-39-11-9-36)34-18-21(17-33)30(23)35-27-16-29(38-2)25(32)15-24(27)31/h3-5,12-16,18H,6-11H2,1-2H3,(H,34,35)
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n/an/a 74n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6481
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15a | 4...)
Show SMILES COc1cc(Nc2c(cnc3cc(c(OC)cc23)-c2cccc(CN3CCOCC3)c2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C29H26Cl2N4O3/c1-36-27-12-22-25(11-21(27)19-5-3-4-18(10-19)17-35-6-8-38-9-7-35)33-16-20(15-32)29(22)34-26-14-28(37-2)24(31)13-23(26)30/h3-5,10-14,16H,6-9,17H2,1-2H3,(H,33,34)
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n/an/a 150n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM6495
PNG
(4-Anilino-7-phenyl-3-quinolinecarbonitrile 15o | 4...)
Show SMILES COc1cc(Nc2c(cnc3cc(ccc23)-c2ccccc2CN2CCOCC2)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C28H24Cl2N4O2/c1-35-27-14-26(23(29)13-24(27)30)33-28-20(15-31)16-32-25-12-18(6-7-22(25)28)21-5-3-2-4-19(21)17-34-8-10-36-11-9-34/h2-7,12-14,16H,8-11,17H2,1H3,(H,32,33)
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n/an/a 4.00E+3n/an/an/an/a7.530



Wyeth Research



Assay Description
Src kinase activity was measured in an ELISA format. IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the tra...


Bioorg Med Chem Lett 12: 2989-92 (2002)


Article DOI: 10.1016/s0960-894x(02)00577-2
BindingDB Entry DOI: 10.7270/Q24B2ZHC
More data for this
Ligand-Target Pair