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BDBM50248229 CHEMBL474347::N-(4-(benzo[d]thiazol-2-yl)-2-fluorophenyl)thieno[3,2-d]pyrimidin-4-amine

SMILES: Fc1cc(ccc1Nc1ncnc2ccsc12)-c1nc2ccccc2s1

InChI Key: InChIKey=RSIMWZIJZCXPJV-UHFFFAOYSA-N

Data: 10 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50248229   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Insulin receptor


(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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n/an/a>1.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(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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n/an/a>1.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2736QS3
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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n/an/a 290n/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
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(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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n/an/a>1.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(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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n/an/a>1.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(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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n/an/a 4.10E+3n/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
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Aurora kinase A


(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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n/an/a 4.00E+3n/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
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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n/an/a>1.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(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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n/an/a>1.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(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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n/an/a>1.00E+4n/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
BindingDB Entry DOI: 10.7270/Q2736QS3
More data for this
Ligand-Target Pair