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PubMed code 17113292

Compile data set for download or QSAR
Found 73 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
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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12.9n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Yes kinase


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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19.4n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Abl kinase


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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25.9n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lyn


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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28.1n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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29.4n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Lck


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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63.8n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of EphB4


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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407n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Ret


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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493n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of FGFR2


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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784n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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2.09E+3n/an/an/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198791
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(2-(2-(pyrrolidi...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccnc(OCCN4CCCC4)c3)nnc2c1
Show InChI InChI=1S/C27H30N6O/c1-18-7-6-8-19(2)25(18)21-15-20(3)26-23(16-21)31-32-27(30-26)29-22-9-10-28-24(17-22)34-14-13-33-11-4-5-12-33/h6-10,15-17H,4-5,11-14H2,1-3H3,(H,28,29,30,32)
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n/an/a 6.40n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50193874
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(pyrrolidi...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C28H31N5O/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)34-16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32)
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n/an/a 6.40n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50193874
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(pyrrolidi...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C28H31N5O/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)34-16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32)
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n/an/a 7n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198817
PNG
(4-(7-(2,6-dimethylphenyl)-5-methylbenzo[e][1,2,4]t...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2c1
Show InChI InChI=1S/C28H32N6O2S/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)32-33-28(31-27)30-23-9-11-24(12-10-23)37(35,36)29-13-16-34-14-4-5-15-34/h6-12,17-18,29H,4-5,13-16H2,1-3H3,(H,30,31,33)
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n/an/a 9n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50193910
PNG
(CHEMBL218102 | N-(3-(2-(diethylamino)ethoxy)phenyl...)
Show SMILES CCN(CC)CCOc1cccc(Nc2nnc3cc(cc(C)c3n2)-c2c(C)cccc2C)c1
Show InChI InChI=1S/C28H33N5O/c1-6-33(7-2)14-15-34-24-13-9-12-23(18-24)29-28-30-27-21(5)16-22(17-25(27)31-32-28)26-19(3)10-8-11-20(26)4/h8-13,16-18H,6-7,14-15H2,1-5H3,(H,29,30,32)
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n/an/a 10n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198819
PNG
(4-(6-methyl-7-o-tolylbenzo[e][1,2,4]triazin-3-ylam...)
Show SMILES Cc1ccccc1-c1cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc2cc1C
Show InChI InChI=1S/C27H30N6O2S/c1-19-7-3-4-8-23(19)24-18-26-25(17-20(24)2)30-27(32-31-26)29-21-9-11-22(12-10-21)36(34,35)28-13-16-33-14-5-6-15-33/h3-4,7-12,17-18,28H,5-6,13-16H2,1-2H3,(H,29,30,32)
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n/an/a 10n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50193879
PNG
(CHEMBL218656 | N-(4-(2-(diethylamino)ethoxy)phenyl...)
Show SMILES CCN(CC)CCOc1ccc(Nc2nnc3cc(cc(C)c3n2)-c2c(C)cccc2C)cc1
Show InChI InChI=1S/C28H33N5O/c1-6-33(7-2)15-16-34-24-13-11-23(12-14-24)29-28-30-27-21(5)17-22(18-25(27)31-32-28)26-19(3)9-8-10-20(26)4/h8-14,17-18H,6-7,15-16H2,1-5H3,(H,29,30,32)
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n/an/a 10n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198827
PNG
(7-(2,6-dimethylphenyl)-N5-methyl-N3-(4-(2-(pyrroli...)
Show SMILES CNc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(C)cccc1C
Show InChI InChI=1S/C28H32N6O/c1-19-7-6-8-20(2)26(19)21-17-24(29-3)27-25(18-21)32-33-28(31-27)30-22-9-11-23(12-10-22)35-16-15-34-13-4-5-14-34/h6-12,17-18,29H,4-5,13-16H2,1-3H3,(H,30,31,33)
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n/an/a 10n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198792
PNG
(7-(2,6-dimethylphenyl)-N3-(4-(2-(pyrrolidin-1-yl)e...)
Show SMILES Cc1cccc(C)c1-c1cc(N)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C27H30N6O/c1-18-6-5-7-19(2)25(18)20-16-23(28)26-24(17-20)31-32-27(30-26)29-21-8-10-22(11-9-21)34-15-14-33-12-3-4-13-33/h5-11,16-17H,3-4,12-15,28H2,1-2H3,(H,29,30,32)
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n/an/a 10n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198811
PNG
(4-(7-(2,6-dimethylphenyl)-6-methylbenzo[e][1,2,4]t...)
Show SMILES Cc1cccc(C)c1-c1cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc2cc1C |(-5.05,5.05,;-6.38,4.28,;-7.71,5.05,;-9.05,4.28,;-9.04,2.74,;-7.71,1.97,;-7.71,.43,;-6.38,2.75,;-5.05,1.97,;-3.72,2.74,;-2.39,1.98,;-1.05,2.77,;.3,1.99,;.31,.43,;1.65,-.33,;2.98,.44,;4.31,-.33,;5.64,.44,;5.63,1.99,;4.29,2.75,;2.96,1.97,;6.96,2.76,;6.19,4.09,;7.73,1.43,;8.3,3.53,;9.63,2.75,;10.97,3.52,;12.3,2.75,;12.46,1.23,;13.97,.91,;14.74,2.24,;13.71,3.39,;-1.03,-.34,;-2.38,.43,;-3.72,-.34,;-5.05,.43,;-6.38,-.34,)|
Show InChI InChI=1S/C28H32N6O2S/c1-19-7-6-8-20(2)27(19)24-18-26-25(17-21(24)3)31-28(33-32-26)30-22-9-11-23(12-10-22)37(35,36)29-13-16-34-14-4-5-15-34/h6-12,17-18,29H,4-5,13-16H2,1-3H3,(H,30,31,33)
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n/an/a 11n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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n/an/a 11n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198812
PNG
(7-(2,6-dimethylphenyl)-6-methyl-N-(4-(2-(pyrrolidi...)
Show SMILES Cc1cccc(C)c1-c1cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc2cc1C |(15.87,-35.45,;14.54,-36.22,;13.2,-35.45,;11.87,-36.22,;11.87,-37.77,;13.21,-38.53,;13.21,-40.07,;14.53,-37.76,;15.86,-38.53,;17.19,-37.76,;18.53,-38.52,;19.86,-37.74,;21.22,-38.51,;21.22,-40.07,;22.56,-40.83,;23.89,-40.06,;25.22,-40.83,;26.55,-40.06,;26.54,-38.52,;27.88,-37.74,;29.21,-38.51,;30.54,-37.73,;31.88,-38.5,;32.04,-40.02,;33.55,-40.34,;34.32,-39,;33.28,-37.86,;25.2,-37.75,;23.87,-38.53,;19.88,-40.85,;18.53,-40.08,;17.2,-40.85,;15.86,-40.08,;14.53,-40.84,)|
Show InChI InChI=1S/C28H31N5O/c1-19-7-6-8-20(2)27(19)24-18-26-25(17-21(24)3)30-28(32-31-26)29-22-9-11-23(12-10-22)34-16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32)
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n/an/a 12n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198787
PNG
(4-(7-(5-cyano-2-methylphenyl)-6-methylbenzo[e][1,2...)
Show SMILES Cc1ccc(cc1-c1cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc2cc1C)C#N
Show InChI InChI=1S/C28H29N7O2S/c1-19-5-6-21(18-29)16-24(19)25-17-27-26(15-20(25)2)32-28(34-33-27)31-22-7-9-23(10-8-22)38(36,37)30-11-14-35-12-3-4-13-35/h5-10,15-17,30H,3-4,11-14H2,1-2H3,(H,31,32,34)
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n/an/a 12n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198824
PNG
(4-(7-(2,6-dimethylphenyl)-5-methylbenzo[e][1,2,4]t...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(cc3)C(=O)NN3CCNCC3)nnc2c1
Show InChI InChI=1S/C27H29N7O/c1-17-5-4-6-18(2)24(17)21-15-19(3)25-23(16-21)31-32-27(30-25)29-22-9-7-20(8-10-22)26(35)33-34-13-11-28-12-14-34/h4-10,15-16,28H,11-14H2,1-3H3,(H,33,35)(H,29,30,32)
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n/an/a 13n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198822
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(3-(pyrrolidi...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C29H33N5O/c1-20-8-6-9-21(2)27(20)23-18-22(3)28-26(19-23)32-33-29(31-28)30-24-10-12-25(13-11-24)35-17-7-16-34-14-4-5-15-34/h6,8-13,18-19H,4-5,7,14-17H2,1-3H3,(H,30,31,33)
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n/an/a 13n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198826
PNG
(4-(7-(2-chloro-6-hydroxyphenyl)-5-methylbenzo[e][1...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(O)cccc1Cl
Show InChI InChI=1S/C26H27ClN6O3S/c1-17-15-18(24-21(27)5-4-6-23(24)34)16-22-25(17)30-26(32-31-22)29-19-7-9-20(10-8-19)37(35,36)28-11-14-33-12-2-3-13-33/h4-10,15-16,28,34H,2-3,11-14H2,1H3,(H,29,30,32)
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n/an/a 13n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198820
PNG
(CHEMBL231251 | N-(7-(2,6-dimethylphenyl)-3-(4-(2-(...)
Show SMILES CC(=O)Nc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(C)cccc1C
Show InChI InChI=1S/C29H32N6O2/c1-19-7-6-8-20(2)27(19)22-17-25(30-21(3)36)28-26(18-22)33-34-29(32-28)31-23-9-11-24(12-10-23)37-16-15-35-13-4-5-14-35/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,30,36)(H,31,32,34)
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n/an/a 14n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198796
PNG
(4-(7-(2,6-dichlorophenyl)-5-methylbenzo[e][1,2,4]t...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H26Cl2N6O2S/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)31-26(33-32-23)30-19-7-9-20(10-8-19)37(35,36)29-11-14-34-12-2-3-13-34/h4-10,15-16,29H,2-3,11-14H2,1H3,(H,30,31,33)
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n/an/a 14n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198803
PNG
(7-(2,6-dimethylphenyl)-N-(4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Cc1cccc(C)c1-c1ccc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C27H29N5O/c1-19-6-5-7-20(2)26(19)21-8-13-24-25(18-21)30-31-27(29-24)28-22-9-11-23(12-10-22)33-17-16-32-14-3-4-15-32/h5-13,18H,3-4,14-17H2,1-2H3,(H,28,29,31)
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n/an/a 15n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198825
PNG
(4-(7-(2,6-dimethylphenyl)-5-methylbenzo[e][1,2,4]t...)
Show SMILES CN1CCN(CC1)NC(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2c(C)cccc2C)cc1
Show InChI InChI=1S/C28H31N7O/c1-18-6-5-7-19(2)25(18)22-16-20(3)26-24(17-22)31-32-28(30-26)29-23-10-8-21(9-11-23)27(36)33-35-14-12-34(4)13-15-35/h5-11,16-17H,12-15H2,1-4H3,(H,33,36)(H,29,30,32)
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n/an/a 15n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198788
PNG
(CHEMBL231235 | N-(4-(7-(2,6-dimethylphenyl)-5-meth...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(cc3)N(CCN3CCCC3)C(=O)c3ccccc3)nnc2c1
Show InChI InChI=1S/C35H36N6O/c1-24-10-9-11-25(2)32(24)28-22-26(3)33-31(23-28)38-39-35(37-33)36-29-14-16-30(17-15-29)41(21-20-40-18-7-8-19-40)34(42)27-12-5-4-6-13-27/h4-6,9-17,22-23H,7-8,18-21H2,1-3H3,(H,36,37,39)
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n/an/a 16n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198815
PNG
(CHEMBL230820 | N-(3-(7-(2,6-dimethylphenyl)-5-meth...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(c3)N(CCN3CCCC3)C(=O)c3ccccc3)nnc2c1
Show InChI InChI=1S/C35H36N6O/c1-24-11-9-12-25(2)32(24)28-21-26(3)33-31(22-28)38-39-35(37-33)36-29-15-10-16-30(23-29)41(20-19-40-17-7-8-18-40)34(42)27-13-5-4-6-14-27/h4-6,9-16,21-23H,7-8,17-20H2,1-3H3,(H,36,37,39)
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n/an/a 18n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198789
PNG
(4-(7-(4-fluoro-2-methylphenyl)-6-methylbenzo[e][1,...)
Show SMILES Cc1cc(F)ccc1-c1cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc2cc1C
Show InChI InChI=1S/C27H29FN6O2S/c1-18-15-20(28)5-10-23(18)24-17-26-25(16-19(24)2)31-27(33-32-26)30-21-6-8-22(9-7-21)37(35,36)29-11-14-34-12-3-4-13-34/h5-10,15-17,29H,3-4,11-14H2,1-2H3,(H,30,31,33)
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n/an/a 20n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198810
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2ccc(Nc3nnc4cc(cc(C)c4n3)-c3c(C)cccc3C)cc2)CC1
Show InChI InChI=1S/C29H34N6O/c1-20-6-5-7-21(2)27(20)23-18-22(3)28-26(19-23)32-33-29(31-28)30-24-8-10-25(11-9-24)36-17-16-35-14-12-34(4)13-15-35/h5-11,18-19H,12-17H2,1-4H3,(H,30,31,33)
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n/an/a 21n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198814
PNG
(CHEMBL390479 | N-(7-(2,6-dimethylphenyl)-3-(4-(2-(...)
Show SMILES Cc1cccc(C)c1-c1cc(NS(C)(=O)=O)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C28H32N6O3S/c1-19-7-6-8-20(2)26(19)21-17-24-27(25(18-21)33-38(3,35)36)30-28(32-31-24)29-22-9-11-23(12-10-22)37-16-15-34-13-4-5-14-34/h6-12,17-18,33H,4-5,13-16H2,1-3H3,(H,29,30,32)
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n/an/a 21n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198794
PNG
(4-(7-(5-cyano-2-methylphenyl)-5-methylbenzo[e][1,2...)
Show SMILES Cc1ccc(cc1-c1cc(C)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2c1)C#N
Show InChI InChI=1S/C28H29N7O2S/c1-19-5-6-21(18-29)16-25(19)22-15-20(2)27-26(17-22)33-34-28(32-27)31-23-7-9-24(10-8-23)38(36,37)30-11-14-35-12-3-4-13-35/h5-10,15-17,30H,3-4,11-14H2,1-2H3,(H,31,32,34)
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n/an/a 25n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198785
PNG
(7-(2,6-dichlorophenyl)-N-(4-(2-(pyrrolidin-1-yl)et...)
Show SMILES Clc1cccc(Cl)c1-c1ccc2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C25H23Cl2N5O/c26-20-4-3-5-21(27)24(20)17-6-11-22-23(16-17)30-31-25(29-22)28-18-7-9-19(10-8-18)33-15-14-32-12-1-2-13-32/h3-11,16H,1-2,12-15H2,(H,28,29,31)
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n/an/a 30n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198808
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(3-(2-morpholino...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(OCCN4CCOCC4)c3)nnc2c1
Show InChI InChI=1S/C28H31N5O2/c1-19-6-4-7-20(2)26(19)22-16-21(3)27-25(17-22)31-32-28(30-27)29-23-8-5-9-24(18-23)35-15-12-33-10-13-34-14-11-33/h4-9,16-18H,10-15H2,1-3H3,(H,29,30,32)
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n/an/a 33n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198813
PNG
(7-(2-chlorophenyl)-5-methyl-N-(4-(2-(pyrrolidin-1-...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1Cl
Show InChI InChI=1S/C26H26ClN5O/c1-18-16-19(22-6-2-3-7-23(22)27)17-24-25(18)29-26(31-30-24)28-20-8-10-21(11-9-20)33-15-14-32-12-4-5-13-32/h2-3,6-11,16-17H,4-5,12-15H2,1H3,(H,28,29,31)
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n/an/a 35n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198806
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(4-methylp...)
Show SMILES CC(COc1ccc(Nc2nnc3cc(cc(C)c3n2)-c2c(C)cccc2C)cc1)N1CCN(C)CC1 |w:1.0|
Show InChI InChI=1S/C30H36N6O/c1-20-7-6-8-21(2)28(20)24-17-22(3)29-27(18-24)33-34-30(32-29)31-25-9-11-26(12-10-25)37-19-23(4)36-15-13-35(5)14-16-36/h6-12,17-18,23H,13-16,19H2,1-5H3,(H,31,32,34)
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n/an/a 36n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198784
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(3-(2-(4-methylp...)
Show SMILES CC(COc1cccc(Nc2nnc3cc(cc(C)c3n2)-c2c(C)cccc2C)c1)N1CCN(C)CC1 |w:1.0|
Show InChI InChI=1S/C30H36N6O/c1-20-8-6-9-21(2)28(20)24-16-22(3)29-27(17-24)33-34-30(32-29)31-25-10-7-11-26(18-25)37-19-23(4)36-14-12-35(5)13-15-36/h6-11,16-18,23H,12-15,19H2,1-5H3,(H,31,32,34)
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n/an/a 39n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198795
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(3-(2-(4-methylp...)
Show SMILES CN1CCN(CCOc2cccc(Nc3nnc4cc(cc(C)c4n3)-c3c(C)cccc3C)c2)CC1
Show InChI InChI=1S/C29H34N6O/c1-20-7-5-8-21(2)27(20)23-17-22(3)28-26(18-23)32-33-29(31-28)30-24-9-6-10-25(19-24)36-16-15-35-13-11-34(4)12-14-35/h5-10,17-19H,11-16H2,1-4H3,(H,30,31,33)
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n/an/a 40n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198786
PNG
(4-(7-(5-amino-2-chlorophenyl)-5-methylbenzo[e][1,2...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cc(N)ccc1Cl
Show InChI InChI=1S/C26H28ClN7O2S/c1-17-14-18(22-16-19(28)4-9-23(22)27)15-24-25(17)31-26(33-32-24)30-20-5-7-21(8-6-20)37(35,36)29-10-13-34-11-2-3-12-34/h4-9,14-16,29H,2-3,10-13,28H2,1H3,(H,30,31,33)
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n/an/a 51n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198809
PNG
(4-(6-methyl-7-(2-(trifluoromethyl)phenyl)benzo[e][...)
Show SMILES Cc1cc2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2cc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H27F3N6O2S/c1-18-16-24-25(17-22(18)21-6-2-3-7-23(21)27(28,29)30)34-35-26(33-24)32-19-8-10-20(11-9-19)39(37,38)31-12-15-36-13-4-5-14-36/h2-3,6-11,16-17,31H,4-5,12-15H2,1H3,(H,32,33,35)
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n/an/a 67n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198781
PNG
(4-(7-(2-(hydroxymethyl)phenyl)-6-methylbenzo[e][1,...)
Show SMILES Cc1cc2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2cc1-c1ccccc1CO
Show InChI InChI=1S/C27H30N6O3S/c1-19-16-25-26(17-24(19)23-7-3-2-6-20(23)18-34)31-32-27(30-25)29-21-8-10-22(11-9-21)37(35,36)28-12-15-33-13-4-5-14-33/h2-3,6-11,16-17,28,34H,4-5,12-15,18H2,1H3,(H,29,30,32)
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n/an/a 72n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198783
PNG
(4-(7-amino-6-methylbenzo[e][1,2,4]triazin-3-ylamin...)
Show SMILES Cc1cc2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2cc1N
Show InChI InChI=1S/C20H25N7O2S/c1-14-12-18-19(13-17(14)21)25-26-20(24-18)23-15-4-6-16(7-5-15)30(28,29)22-8-11-27-9-2-3-10-27/h4-7,12-13,22H,2-3,8-11,21H2,1H3,(H,23,24,26)
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n/an/a 92n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198829
PNG
(7-(2-fluoro-5-methylpyridin-4-yl)-5-methyl-N-(4-(2...)
Show SMILES Cc1cnc(F)cc1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C26H27FN6O/c1-17-13-19(22-15-24(27)28-16-18(22)2)14-23-25(17)30-26(32-31-23)29-20-5-7-21(8-6-20)34-12-11-33-9-3-4-10-33/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,29,30,32)
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n/an/a 204n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198823
PNG
(7-(3,5-dimethylisoxazol-4-yl)-5-methyl-N-(4-(2-(py...)
Show SMILES Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C25H28N6O2/c1-16-14-19(23-17(2)30-33-18(23)3)15-22-24(16)27-25(29-28-22)26-20-6-8-21(9-7-20)32-13-12-31-10-4-5-11-31/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,26,27,29)
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n/an/a 207n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50370993
PNG
(ECTEINASCIDIN 743)
Show SMILES COc1cc2c(CCN[C@]22CS[C@@H]3[C@H]4[C@@H]5N(C)[C@@H](Cc6cc(C)c(OC)c(O)c56)[C@H](O)N4[C@H](COC2=O)c2c4OCOc4c(C)c(OC(C)=O)c32)cc1O |r|
Show InChI InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22?,23-,29?,30-,36+,37+,39-/m1/s1
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n/an/a 208n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198799
PNG
(4-(7-(3-aminophenyl)-5-methylbenzo[e][1,2,4]triazi...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cccc(N)c1
Show InChI InChI=1S/C26H29N7O2S/c1-18-15-20(19-5-4-6-21(27)16-19)17-24-25(18)30-26(32-31-24)29-22-7-9-23(10-8-22)36(34,35)28-11-14-33-12-2-3-13-33/h4-10,15-17,28H,2-3,11-14,27H2,1H3,(H,29,30,32)
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n/an/a 282n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198801
PNG
(4-(6-methyl-7-phenylbenzo[e][1,2,4]triazin-3-ylami...)
Show SMILES Cc1cc2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2cc1-c1ccccc1
Show InChI InChI=1S/C26H28N6O2S/c1-19-17-24-25(18-23(19)20-7-3-2-4-8-20)30-31-26(29-24)28-21-9-11-22(12-10-21)35(33,34)27-13-16-32-14-5-6-15-32/h2-4,7-12,17-18,27H,5-6,13-16H2,1H3,(H,28,29,31)
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n/an/a 315n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198805
PNG
(5-methyl-7-phenyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H27N5O/c1-19-17-21(20-7-3-2-4-8-20)18-24-25(19)28-26(30-29-24)27-22-9-11-23(12-10-22)32-16-15-31-13-5-6-14-31/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,27,28,30)
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n/an/a 341n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198816
PNG
(4-(7-(5-(aminomethyl)-2-methylphenyl)-5-methylbenz...)
Show SMILES Cc1ccc(CN)cc1-c1cc(C)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2c1
Show InChI InChI=1S/C28H33N7O2S/c1-19-5-6-21(18-29)16-25(19)22-15-20(2)27-26(17-22)33-34-28(32-27)31-23-7-9-24(10-8-23)38(36,37)30-11-14-35-12-3-4-13-35/h5-10,15-17,30H,3-4,11-14,18,29H2,1-2H3,(H,31,32,34)
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n/an/a 353n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198804
PNG
(7-(2-chloro-6-methoxyphenyl)-5-methyl-N-(4-(2-(pyr...)
Show SMILES COc1cccc(Cl)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C27H28ClN5O2/c1-18-16-19(25-22(28)6-5-7-24(25)34-2)17-23-26(18)30-27(32-31-23)29-20-8-10-21(11-9-20)35-15-14-33-12-3-4-13-33/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,29,30,32)
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n/an/a 505n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198828
PNG
(4-(5-methyl-7-(3-(methylamino)phenyl)benzo[e][1,2,...)
Show SMILES CNc1cccc(c1)-c1cc(C)c2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2c1
Show InChI InChI=1S/C27H31N7O2S/c1-19-16-21(20-6-5-7-23(17-20)28-2)18-25-26(19)31-27(33-32-25)30-22-8-10-24(11-9-22)37(35,36)29-12-15-34-13-3-4-14-34/h5-11,16-18,28-29H,3-4,12-15H2,1-2H3,(H,30,31,33)
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n/an/a 631n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198821
PNG
(7-(2-chloro-5-methoxyphenyl)-5-methyl-N-(4-(2-(pyr...)
Show SMILES COc1ccc(Cl)c(c1)-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C27H28ClN5O2/c1-18-15-19(23-17-22(34-2)9-10-24(23)28)16-25-26(18)30-27(32-31-25)29-20-5-7-21(8-6-20)35-14-13-33-11-3-4-12-33/h5-10,15-17H,3-4,11-14H2,1-2H3,(H,29,30,32)
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n/an/a 778n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198818
PNG
(7-(5-chloro-2-methoxyphenyl)-5-methyl-N-(4-(2-(pyr...)
Show SMILES COc1ccc(Cl)cc1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C27H28ClN5O2/c1-18-15-19(23-17-20(28)5-10-25(23)34-2)16-24-26(18)30-27(32-31-24)29-21-6-8-22(9-7-21)35-14-13-33-11-3-4-12-33/h5-10,15-17H,3-4,11-14H2,1-2H3,(H,29,30,32)
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n/an/a 1.20E+3n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198800
PNG
(5-methyl-7-(pyrimidin-4-yl)-N-(4-(2-(pyrrolidin-1-...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccncn1
Show InChI InChI=1S/C24H25N7O/c1-17-14-18(21-8-9-25-16-26-21)15-22-23(17)28-24(30-29-22)27-19-4-6-20(7-5-19)32-13-12-31-10-2-3-11-31/h4-9,14-16H,2-3,10-13H2,1H3,(H,27,28,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198798
PNG
(5-methyl-7-(pyridin-2-yl)-N-(4-(2-(pyrrolidin-1-yl...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccn1
Show InChI InChI=1S/C25H26N6O/c1-18-16-19(22-6-2-3-11-26-22)17-23-24(18)28-25(30-29-23)27-20-7-9-21(10-8-20)32-15-14-31-12-4-5-13-31/h2-3,6-11,16-17H,4-5,12-15H2,1H3,(H,27,28,30)
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n/an/a 1.80E+3n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198807
PNG
(4-(5-methyl-7-(3-(methylsulfonamido)phenyl)benzo[e...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc12)-c1cccc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C27H31N7O4S2/c1-19-16-21(20-6-5-7-23(17-20)33-39(2,35)36)18-25-26(19)30-27(32-31-25)29-22-8-10-24(11-9-22)40(37,38)28-12-15-34-13-3-4-14-34/h5-11,16-18,28,33H,3-4,12-15H2,1-2H3,(H,29,30,32)
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n/an/a 2.90E+3n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198790
PNG
(4-(7-bromo-6-methylbenzo[e][1,2,4]triazin-3-ylamin...)
Show SMILES Cc1cc2nc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nnc2cc1Br
Show InChI InChI=1S/C20H23BrN6O2S/c1-14-12-18-19(13-17(14)21)25-26-20(24-18)23-15-4-6-16(7-5-15)30(28,29)22-8-11-27-9-2-3-10-27/h4-7,12-13,22H,2-3,8-11H2,1H3,(H,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198802
PNG
(CHEMBL387795 | N-(4-(2-(pyrrolidin-1-yl)ethoxy)phe...)
Show SMILES C(CN1CCCC1)Oc1ccc(Nc2nnc3ccccc3n2)cc1
Show InChI InChI=1S/C19H21N5O/c1-2-6-18-17(5-1)21-19(23-22-18)20-15-7-9-16(10-8-15)25-14-13-24-11-3-4-12-24/h1-2,5-10H,3-4,11-14H2,(H,20,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50198793
PNG
(4-(6-methylbenzo[e][1,2,4]triazin-3-ylamino)-N-(2-...)
Show SMILES Cc1ccc2nnc(Nc3ccc(cc3)S(=O)(=O)NCCN3CCCC3)nc2c1
Show InChI InChI=1S/C20H24N6O2S/c1-15-4-9-18-19(14-15)23-20(25-24-18)22-16-5-7-17(8-6-16)29(27,28)21-10-13-26-11-2-3-12-26/h4-9,14,21H,2-3,10-13H2,1H3,(H,22,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of Src


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50193874
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(pyrrolidi...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C28H31N5O/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)34-16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32)
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n/an/a 1.20E+4n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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n/an/a 1.20E+4n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50193874
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(pyrrolidi...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C28H31N5O/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)34-16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32)
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n/an/a 2.50E+4n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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n/an/a 3.30E+4n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50193874
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(pyrrolidi...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C28H31N5O/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)34-16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32)
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n/an/a 4.20E+4n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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n/an/a 6.20E+4n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50193874
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(pyrrolidi...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C28H31N5O/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)34-16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50193874
PNG
(7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(pyrrolidi...)
Show SMILES Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCCC4)cc3)nnc2c1
Show InChI InChI=1S/C28H31N5O/c1-19-7-6-8-20(2)26(19)22-17-21(3)27-25(18-22)31-32-28(30-27)29-23-9-11-24(12-10-23)34-16-15-33-13-4-5-14-33/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,29,30,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50198782
PNG
(([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]tri...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H25Cl2N5O/c1-17-15-18(24-21(27)5-4-6-22(24)28)16-23-25(17)30-26(32-31-23)29-19-7-9-20(10-8-19)34-14-13-33-11-2-3-12-33/h4-10,15-16H,2-3,11-14H2,1H3,(H,29,30,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



TargeGen, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2


Bioorg Med Chem Lett 17: 602-8 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.006
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%