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BDBM50304208 CHEMBL595406::N-(4-(benzo[d]thiazol-2-yl)-2-methylphenyl)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinazolin-4-amine

SMILES: COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1

InChI Key: InChIKey=SSHDKAJDJAVHAF-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50304208   
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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304208
PNG
(CHEMBL595406 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...)
Show SMILES COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H34N6O2S/c1-21-17-22(31-35-25-7-4-5-8-29(25)40-31)9-10-24(21)34-30-23-18-27(38-3)28(19-26(23)32-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
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n/an/a 340n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 by microplate scintillation counting


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50304208
PNG
(CHEMBL595406 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...)
Show SMILES COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H34N6O2S/c1-21-17-22(31-35-25-7-4-5-8-29(25)40-31)9-10-24(21)34-30-23-18-27(38-3)28(19-26(23)32-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
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n/an/a 440n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B by microplate scintillation counting


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50304208
PNG
(CHEMBL595406 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...)
Show SMILES COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H34N6O2S/c1-21-17-22(31-35-25-7-4-5-8-29(25)40-31)9-10-24(21)34-30-23-18-27(38-3)28(19-26(23)32-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
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n/an/a 340n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A by microplate scintillation counting


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50304208
PNG
(CHEMBL595406 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...)
Show SMILES COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H34N6O2S/c1-21-17-22(31-35-25-7-4-5-8-29(25)40-31)9-10-24(21)34-30-23-18-27(38-3)28(19-26(23)32-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
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n/an/a 250n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of wild type EGF-R by microplate scintillation counting


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50304208
PNG
(CHEMBL595406 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...)
Show SMILES COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H34N6O2S/c1-21-17-22(31-35-25-7-4-5-8-29(25)40-31)9-10-24(21)34-30-23-18-27(38-3)28(19-26(23)32-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
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n/an/a 38n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of TIE2 by microplate scintillation counting


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50304208
PNG
(CHEMBL595406 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...)
Show SMILES COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H34N6O2S/c1-21-17-22(31-35-25-7-4-5-8-29(25)40-31)9-10-24(21)34-30-23-18-27(38-3)28(19-26(23)32-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
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n/an/a 490n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of ERBB2 by microplate scintillation counting


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50304208
PNG
(CHEMBL595406 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...)
Show SMILES COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H34N6O2S/c1-21-17-22(31-35-25-7-4-5-8-29(25)40-31)9-10-24(21)34-30-23-18-27(38-3)28(19-26(23)32-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
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n/an/a 6.70E+3n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta by microplate scintillation counting


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50304208
PNG
(CHEMBL595406 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...)
Show SMILES COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C31H34N6O2S/c1-21-17-22(31-35-25-7-4-5-8-29(25)40-31)9-10-24(21)34-30-23-18-27(38-3)28(19-26(23)32-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34)
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n/an/a 250n/an/an/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 by microplate scintillation counting


Bioorg Med Chem 17: 6728-37 (2009)


Article DOI: 10.1016/j.bmc.2009.07.047
BindingDB Entry DOI: 10.7270/Q2FJ2GWC
More data for this
Ligand-Target Pair