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PubMed code 19211246

Compile Data Set for Download or QSAR

Found 320 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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4626
PNG
(Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21)
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n/an/a 1n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EGFR by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM4626
PNG
(Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21)
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n/an/a 24n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of ErbB2 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50248349
PNG
(CHEMBL473553 | N-(4-(benzo[d]thiazol-2-yl)-3-metho...)
Show SMILES COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C24H20N4O3S/c1-29-19-10-14(8-9-15(19)24-28-17-6-4-5-7-22(17)32-24)27-23-16-11-20(30-2)21(31-3)12-18(16)25-13-26-23/h4-13H,1-3H3,(H,25,26,27)
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n/an/a 63n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EGFR by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50248413
PNG
(CHEMBL491686 | N2-(3-(benzo[d]thiazol-2-yl)phenyl)...)
Show SMILES Cc1cc(Nc2ccnc(Nc3cccc(c3)-c3nc4ccccc4s3)n2)[nH]n1
Show InChI InChI=1S/C21H17N7S/c1-13-11-19(28-27-13)25-18-9-10-22-21(26-18)23-15-6-4-5-14(12-15)20-24-16-7-2-3-8-17(16)29-20/h2-12H,1H3,(H3,22,23,25,26,27,28)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50248293
PNG
(CHEMBL473556 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
Show InChI InChI=1S/C23H18N4O2S/c1-28-19-11-16-18(12-20(19)29-2)24-13-25-22(16)26-15-9-7-14(8-10-15)23-27-17-5-3-4-6-21(17)30-23/h3-13H,1-2H3,(H,24,25,26)
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n/an/a 135n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50248413
PNG
(CHEMBL491686 | N2-(3-(benzo[d]thiazol-2-yl)phenyl)...)
Show SMILES Cc1cc(Nc2ccnc(Nc3cccc(c3)-c3nc4ccccc4s3)n2)[nH]n1
Show InChI InChI=1S/C21H17N7S/c1-13-11-19(28-27-13)25-18-9-10-22-21(26-18)23-15-6-4-5-14(12-15)20-24-16-7-2-3-8-17(16)29-20/h2-12H,1H3,(H3,22,23,25,26,27,28)
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n/an/a 160n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50248085
PNG
(CHEMBL460746 | N-(3-(benzo[d]thiazol-2-yl)-4-hydro...)
Show SMILES Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
Show InChI InChI=1S/C21H14N4O4S2/c26-17-10-7-13(11-15(17)20-23-16-3-1-2-4-18(16)31-20)22-21(30)24-19(27)12-5-8-14(9-6-12)25(28)29/h1-11,26H,(H2,22,24,27,30)
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n/an/a 190n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Src by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50248413
PNG
(CHEMBL491686 | N2-(3-(benzo[d]thiazol-2-yl)phenyl)...)
Show SMILES Cc1cc(Nc2ccnc(Nc3cccc(c3)-c3nc4ccccc4s3)n2)[nH]n1
Show InChI InChI=1S/C21H17N7S/c1-13-11-19(28-27-13)25-18-9-10-22-21(26-18)23-15-6-4-5-14(12-15)20-24-16-7-2-3-8-17(16)29-20/h2-12H,1H3,(H3,22,23,25,26,27,28)
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n/an/a 190n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Src by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50248294
PNG
(CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...)
Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC
Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(H,25,26,27)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EGFR by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50248085
PNG
(CHEMBL460746 | N-(3-(benzo[d]thiazol-2-yl)-4-hydro...)
Show SMILES Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
Show InChI InChI=1S/C21H14N4O4S2/c26-17-10-7-13(11-15(17)20-23-16-3-1-2-4-18(16)31-20)22-21(30)24-19(27)12-5-8-14(9-6-12)25(28)29/h1-11,26H,(H2,22,24,27,30)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EGFR by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50248229
PNG
(CHEMBL474347 | N-(4-(benzo[d]thiazol-2-yl)-2-fluor...)
Show SMILES Fc1cc(ccc1Nc1ncnc2ccsc12)-c1nc2ccccc2s1
Show InChI InChI=1S/C19H11FN4S2/c20-12-9-11(19-24-14-3-1-2-4-16(14)26-19)5-6-13(12)23-18-17-15(7-8-25-17)21-10-22-18/h1-10H,(H,21,22,23)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50248292
PNG
(CHEMBL473354 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Cc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1Cl
Show InChI InChI=1S/C22H15ClN4S/c1-13-10-16-19(11-17(13)23)24-12-25-21(16)26-15-8-6-14(7-9-15)22-27-18-4-2-3-5-20(18)28-22/h2-12H,1H3,(H,24,25,26)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Src by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50248085
PNG
(CHEMBL460746 | N-(3-(benzo[d]thiazol-2-yl)-4-hydro...)
Show SMILES Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
Show InChI InChI=1S/C21H14N4O4S2/c26-17-10-7-13(11-15(17)20-23-16-3-1-2-4-18(16)31-20)22-21(30)24-19(27)12-5-8-14(9-6-12)25(28)29/h1-11,26H,(H2,22,24,27,30)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50248147
PNG
(CHEMBL461110 | N2-(4-(benzo[d]thiazol-2-yl)-3-meth...)
Show SMILES COc1cc(Nc2nccc(Nc3cc(C)n[nH]3)n2)ccc1-c1nc2ccccc2s1
Show InChI InChI=1S/C22H19N7OS/c1-13-11-20(29-28-13)26-19-9-10-23-22(27-19)24-14-7-8-15(17(12-14)30-2)21-25-16-5-3-4-6-18(16)31-21/h3-12H,1-2H3,(H3,23,24,26,27,28,29)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50248293
PNG
(CHEMBL473556 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES COc1cc2ncnc(Nc3ccc(cc3)-c3nc4ccccc4s3)c2cc1OC
Show InChI InChI=1S/C23H18N4O2S/c1-28-19-11-16-18(12-20(19)29-2)24-13-25-22(16)26-15-9-7-14(8-10-15)23-27-17-5-3-4-6-21(17)30-23/h3-13H,1-2H3,(H,24,25,26)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50248146
PNG
(CHEMBL461109 | N2-(4-(benzo[d]thiazol-2-yl)phenyl)...)
Show SMILES Cc1cc(Nc2ccnc(Nc3ccc(cc3)-c3nc4ccccc4s3)n2)[nH]n1
Show InChI InChI=1S/C21H17N7S/c1-13-12-19(28-27-13)25-18-10-11-22-21(26-18)23-15-8-6-14(7-9-15)20-24-16-4-2-3-5-17(16)29-20/h2-12H,1H3,(H3,22,23,25,26,27,28)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM4626
PNG
(Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50248232
PNG
(CHEMBL514016 | N-(4-(benzo[d]thiazol-2-yl)-3-chlor...)
Show SMILES Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1
Show InChI InChI=1S/C21H12Cl2N4S/c22-12-5-7-15-18(9-12)24-11-25-20(15)26-13-6-8-14(16(23)10-13)21-27-17-3-1-2-4-19(17)28-21/h1-11H,(H,24,25,26)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Src by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50248291
PNG
(CHEMBL473557 | N-(4-(benzo[d]thiazol-2-yl)-2-fluor...)
Show SMILES Fc1cc(ccc1Nc1ncnc2cc(Cl)ccc12)-c1nc2ccccc2s1
Show InChI InChI=1S/C21H12ClFN4S/c22-13-6-7-14-18(10-13)24-11-25-20(14)26-16-8-5-12(9-15(16)23)21-27-17-3-1-2-4-19(17)28-21/h1-11H,(H,24,25,26)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
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))
BDBM4626
PNG
(Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21)
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4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
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))
BDBM50248232
PNG
(CHEMBL514016 | N-(4-(benzo[d]thiazol-2-yl)-3-chlor...)
Show SMILES Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1
Show InChI InChI=1S/C21H12Cl2N4S/c22-12-5-7-15-18(9-12)24-11-25-20(15)26-13-6-8-14(16(23)10-13)21-27-17-3-1-2-4-19(17)28-21/h1-11H,(H,24,25,26)
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n/an/a 600n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50248085
PNG
(CHEMBL460746 | N-(3-(benzo[d]thiazol-2-yl)-4-hydro...)
Show SMILES Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
Show InChI InChI=1S/C21H14N4O4S2/c26-17-10-7-13(11-15(17)20-23-16-3-1-2-4-18(16)31-20)22-21(30)24-19(27)12-5-8-14(9-6-12)25(28)29/h1-11,26H,(H2,22,24,27,30)
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n/an/a 610n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 630n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Src by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50248350
PNG
(CHEMBL514941 | N4-(4-(benzo[d]thiazol-2-yl)phenyl)...)
Show SMILES CNc1nc(Nc2ccc(cc2)-c2nc3ccccc3s2)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C24H21N5O2S/c1-25-24-28-18-13-20(31-3)19(30-2)12-16(18)22(29-24)26-15-10-8-14(9-11-15)23-27-17-6-4-5-7-21(17)32-23/h4-13H,1-3H3,(H2,25,26,28,29)
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n/an/a 630n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
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))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 640n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50248085
PNG
(CHEMBL460746 | N-(3-(benzo[d]thiazol-2-yl)-4-hydro...)
Show SMILES Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
Show InChI InChI=1S/C21H14N4O4S2/c26-17-10-7-13(11-15(17)20-23-16-3-1-2-4-18(16)31-20)22-21(30)24-19(27)12-5-8-14(9-6-12)25(28)29/h1-11,26H,(H2,22,24,27,30)
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n/an/a 700n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of CDK2 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50248291
PNG
(CHEMBL473557 | N-(4-(benzo[d]thiazol-2-yl)-2-fluor...)
Show SMILES Fc1cc(ccc1Nc1ncnc2cc(Cl)ccc12)-c1nc2ccccc2s1
Show InChI InChI=1S/C21H12ClFN4S/c22-13-6-7-14-18(10-13)24-11-25-20(14)26-16-8-5-12(9-15(16)23)21-27-17-3-1-2-4-19(17)28-21/h1-11H,(H,24,25,26)
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n/an/a 700n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Src by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50248149
PNG
(CHEMBL462162 | N-(4-(benzo[d]thiazol-2-yl)-3-metho...)
Show SMILES COc1cc(Nc2ncnc3[nH]ccc23)ccc1-c1nc2ccccc2s1
Show InChI InChI=1S/C20H15N5OS/c1-26-16-10-12(24-19-14-8-9-21-18(14)22-11-23-19)6-7-13(16)20-25-15-4-2-3-5-17(15)27-20/h2-11H,1H3,(H2,21,22,23,24)
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n/an/a 720n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EGFR by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50248185
PNG
(CHEMBL472946 | N-(4-(benzo[d]thiazol-2-yl)phenyl)t...)
Show SMILES N(c1ccc(cc1)-c1nc2ccccc2s1)c1ncnc2ccsc12
Show InChI InChI=1S/C19H12N4S2/c1-2-4-16-14(3-1)23-19(25-16)12-5-7-13(8-6-12)22-18-17-15(9-10-24-17)20-11-21-18/h1-11H,(H,20,21,22)
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n/an/a 720n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 750n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50248414
PNG
(CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...)
Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC
Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)
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n/an/a 780n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50248232
PNG
(CHEMBL514016 | N-(4-(benzo[d]thiazol-2-yl)-3-chlor...)
Show SMILES Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1
Show InChI InChI=1S/C21H12Cl2N4S/c22-12-5-7-15-18(9-12)24-11-25-20(15)26-13-6-8-14(16(23)10-13)21-27-17-3-1-2-4-19(17)28-21/h1-11H,(H,24,25,26)
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n/an/a 800n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50248232
PNG
(CHEMBL514016 | N-(4-(benzo[d]thiazol-2-yl)-3-chlor...)
Show SMILES Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1
Show InChI InChI=1S/C21H12Cl2N4S/c22-12-5-7-15-18(9-12)24-11-25-20(15)26-13-6-8-14(16(23)10-13)21-27-17-3-1-2-4-19(17)28-21/h1-11H,(H,24,25,26)
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n/an/a 800n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EGFR by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
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))
BDBM50248291
PNG
(CHEMBL473557 | N-(4-(benzo[d]thiazol-2-yl)-2-fluor...)
Show SMILES Fc1cc(ccc1Nc1ncnc2cc(Cl)ccc12)-c1nc2ccccc2s1
Show InChI InChI=1S/C21H12ClFN4S/c22-13-6-7-14-18(10-13)24-11-25-20(14)26-16-8-5-12(9-15(16)23)21-27-17-3-1-2-4-19(17)28-21/h1-11H,(H,24,25,26)
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n/an/a 800n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50248232
PNG
(CHEMBL514016 | N-(4-(benzo[d]thiazol-2-yl)-3-chlor...)
Show SMILES Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1
Show InChI InChI=1S/C21H12Cl2N4S/c22-12-5-7-15-18(9-12)24-11-25-20(15)26-13-6-8-14(16(23)10-13)21-27-17-3-1-2-4-19(17)28-21/h1-11H,(H,24,25,26)
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n/an/a 800n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50248414
PNG
(CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...)
Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC
Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)
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n/an/a 810n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50248120
PNG
(CHEMBL459886 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES CN1CCN(CC1)c1ccnc(Nc2ccc(cc2)-c2nc3ccccc3s2)n1
Show InChI InChI=1S/C22H22N6S/c1-27-12-14-28(15-13-27)20-10-11-23-22(26-20)24-17-8-6-16(7-9-17)21-25-18-4-2-3-5-19(18)29-21/h2-11H,12-15H2,1H3,(H,23,24,26)
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n/an/a 840n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora A by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
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))
BDBM50248294
PNG
(CHEMBL514942 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...)
Show SMILES COc1cc2ncnc(Nc3ccc(cc3C)-c3nc4ccccc4s3)c2cc1OC
Show InChI InChI=1S/C24H20N4O2S/c1-14-10-15(24-28-18-6-4-5-7-22(18)31-24)8-9-17(14)27-23-16-11-20(29-2)21(30-3)12-19(16)25-13-26-23/h4-13H,1-3H3,(H,25,26,27)
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n/an/a 840n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of TIE2 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50248416
PNG
(CHEMBL443906 | N-(3-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H12N6S/c1-2-7-14-13(6-1)24-18(25-14)11-4-3-5-12(8-11)23-17-15-16(20-9-19-15)21-10-22-17/h1-10H,(H2,19,20,21,22,23)
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n/an/a 840n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50248230
PNG
(CHEMBL474543 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Clc1ccc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ccnc2c1
Show InChI InChI=1S/C22H14ClN3S/c23-15-7-10-17-18(11-12-24-20(17)13-15)25-16-8-5-14(6-9-16)22-26-19-3-1-2-4-21(19)27-22/h1-13H,(H,24,25)
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n/an/a 860n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of IGF1R by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
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))
BDBM50248416
PNG
(CHEMBL443906 | N-(3-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES N(c1cccc(c1)-c1nc2ccccc2s1)c1ncnc2nc[nH]c12
Show InChI InChI=1S/C18H12N6S/c1-2-7-14-13(6-1)24-18(25-14)11-4-3-5-12(8-11)23-17-15-16(20-9-19-15)21-10-22-17/h1-10H,(H2,19,20,21,22,23)
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n/an/a 870n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50248085
PNG
(CHEMBL460746 | N-(3-(benzo[d]thiazol-2-yl)-4-hydro...)
Show SMILES Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
Show InChI InChI=1S/C21H14N4O4S2/c26-17-10-7-13(11-15(17)20-23-16-3-1-2-4-18(16)31-20)22-21(30)24-19(27)12-5-8-14(9-6-12)25(28)29/h1-11,26H,(H2,22,24,27,30)
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n/an/a 900n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of FAK by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50248085
PNG
(CHEMBL460746 | N-(3-(benzo[d]thiazol-2-yl)-4-hydro...)
Show SMILES Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
Show InChI InChI=1S/C21H14N4O4S2/c26-17-10-7-13(11-15(17)20-23-16-3-1-2-4-18(16)31-20)22-21(30)24-19(27)12-5-8-14(9-6-12)25(28)29/h1-11,26H,(H2,22,24,27,30)
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n/an/a 900n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50248464
PNG
(CHEMBL491677 | N-[4-(isoindolin-2-yl)phenyl]-6',7'...)
Show SMILES COc1cc2ncnc(Nc3ccc(cc3)N3Cc4ccccc4C3)c2cc1OC
Show InChI InChI=1S/C24H22N4O2/c1-29-22-11-20-21(12-23(22)30-2)25-15-26-24(20)27-18-7-9-19(10-8-18)28-13-16-5-3-4-6-17(16)14-28/h3-12,15H,13-14H2,1-2H3,(H,25,26,27)
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n/an/a 920n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora B by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50248414
PNG
(CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...)
Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC
Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)
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n/an/a 940n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
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))
BDBM50248182
PNG
(CHEMBL475351 | N-(4-(benzo[d]thiazol-2-yl)-3-metho...)
Show SMILES COc1nc(Nc2ccc(-c3nc4ccccc4s3)c(OC)c2)c2cc[nH]c2n1
Show InChI InChI=1S/C21H17N5O2S/c1-27-16-11-12(23-19-14-9-10-22-18(14)25-21(26-19)28-2)7-8-13(16)20-24-15-5-3-4-6-17(15)29-20/h3-11H,1-2H3,(H2,22,23,25,26)
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n/an/a 960n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50248414
PNG
(CHEMBL522785 | N4-(3-(benzo[d]thiazol-2-yl)phenyl)...)
Show SMILES COc1cc2nc(Nc3cc(C)n[nH]3)nc(Nc3cccc(c3)-c3nc4ccccc4s3)c2cc1OC
Show InChI InChI=1S/C27H23N7O2S/c1-15-11-24(34-33-15)31-27-30-20-14-22(36-3)21(35-2)13-18(20)25(32-27)28-17-8-6-7-16(12-17)26-29-19-9-4-5-10-23(19)37-26/h4-14H,1-3H3,(H3,28,30,31,32,33,34)
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n/an/a 960n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Src by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50248085
PNG
(CHEMBL460746 | N-(3-(benzo[d]thiazol-2-yl)-4-hydro...)
Show SMILES Oc1ccc(NC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1-c1nc2ccccc2s1
Show InChI InChI=1S/C21H14N4O4S2/c26-17-10-7-13(11-15(17)20-23-16-3-1-2-4-18(16)31-20)22-21(30)24-19(27)12-5-8-14(9-6-12)25(28)29/h1-11,26H,(H2,22,24,27,30)
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n/an/a 1.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50248291
PNG
(CHEMBL473557 | N-(4-(benzo[d]thiazol-2-yl)-2-fluor...)
Show SMILES Fc1cc(ccc1Nc1ncnc2cc(Cl)ccc12)-c1nc2ccccc2s1
Show InChI InChI=1S/C21H12ClFN4S/c22-13-6-7-14-18(10-13)24-11-25-20(14)26-16-8-5-12(9-15(16)23)21-27-17-3-1-2-4-19(17)28-21/h1-11H,(H,24,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of EphB4 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
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))
BDBM50248292
PNG
(CHEMBL473354 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)
Show SMILES Cc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1Cl
Show InChI InChI=1S/C22H15ClN4S/c1-13-10-16-19(11-17(13)23)24-12-25-21(16)26-15-8-6-14(7-9-15)22-27-18-4-2-3-5-20(18)28-22/h2-12H,1H3,(H,24,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by virtual HTS assay


Bioorg Med Chem Lett 19: 1349-56 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.054
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%