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BDBM50304214 CHEMBL593909::N-(4-(6-chlorobenzo[d]thiazol-2-yl)-2-fluorophenyl)-6-methoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinazolin-4-amine

SMILES: COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1

InChI Key: InChIKey=WZTHBTBWYVSGPF-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 = 50304214   
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50304214
PNG
(CHEMBL593909 | N-(4-(6-chlorobenzo[d]thiazol-2-yl)...)
Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H30ClFN6O2S/c1-37-9-11-38(12-10-37)8-3-13-40-27-17-25-21(16-26(27)39-2)29(34-18-33-25)35-23-6-4-19(14-22(23)32)30-36-24-7-5-20(31)15-28(24)41-30/h4-7,14-18H,3,8-13H2,1-2H3,(H,33,34,35)
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n/an/a 90n/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
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50304214
PNG
(CHEMBL593909 | N-(4-(6-chlorobenzo[d]thiazol-2-yl)...)
Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H30ClFN6O2S/c1-37-9-11-38(12-10-37)8-3-13-40-27-17-25-21(16-26(27)39-2)29(34-18-33-25)35-23-6-4-19(14-22(23)32)30-36-24-7-5-20(31)15-28(24)41-30/h4-7,14-18H,3,8-13H2,1-2H3,(H,33,34,35)
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n/an/a 3.00E+3n/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 A


(Homo sapiens (Human))
BDBM50304214
PNG
(CHEMBL593909 | N-(4-(6-chlorobenzo[d]thiazol-2-yl)...)
Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H30ClFN6O2S/c1-37-9-11-38(12-10-37)8-3-13-40-27-17-25-21(16-26(27)39-2)29(34-18-33-25)35-23-6-4-19(14-22(23)32)30-36-24-7-5-20(31)15-28(24)41-30/h4-7,14-18H,3,8-13H2,1-2H3,(H,33,34,35)
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n/an/a 85n/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))
BDBM50304214
PNG
(CHEMBL593909 | N-(4-(6-chlorobenzo[d]thiazol-2-yl)...)
Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H30ClFN6O2S/c1-37-9-11-38(12-10-37)8-3-13-40-27-17-25-21(16-26(27)39-2)29(34-18-33-25)35-23-6-4-19(14-22(23)32)30-36-24-7-5-20(31)15-28(24)41-30/h4-7,14-18H,3,8-13H2,1-2H3,(H,33,34,35)
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n/an/a 6.20E+3n/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))
BDBM50304214
PNG
(CHEMBL593909 | N-(4-(6-chlorobenzo[d]thiazol-2-yl)...)
Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H30ClFN6O2S/c1-37-9-11-38(12-10-37)8-3-13-40-27-17-25-21(16-26(27)39-2)29(34-18-33-25)35-23-6-4-19(14-22(23)32)30-36-24-7-5-20(31)15-28(24)41-30/h4-7,14-18H,3,8-13H2,1-2H3,(H,33,34,35)
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n/an/a 615n/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))
BDBM50304214
PNG
(CHEMBL593909 | N-(4-(6-chlorobenzo[d]thiazol-2-yl)...)
Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H30ClFN6O2S/c1-37-9-11-38(12-10-37)8-3-13-40-27-17-25-21(16-26(27)39-2)29(34-18-33-25)35-23-6-4-19(14-22(23)32)30-36-24-7-5-20(31)15-28(24)41-30/h4-7,14-18H,3,8-13H2,1-2H3,(H,33,34,35)
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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 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))
BDBM50304214
PNG
(CHEMBL593909 | N-(4-(6-chlorobenzo[d]thiazol-2-yl)...)
Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H30ClFN6O2S/c1-37-9-11-38(12-10-37)8-3-13-40-27-17-25-21(16-26(27)39-2)29(34-18-33-25)35-23-6-4-19(14-22(23)32)30-36-24-7-5-20(31)15-28(24)41-30/h4-7,14-18H,3,8-13H2,1-2H3,(H,33,34,35)
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n/an/a 9.20E+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))
BDBM50304214
PNG
(CHEMBL593909 | N-(4-(6-chlorobenzo[d]thiazol-2-yl)...)
Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccc(Cl)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C30H30ClFN6O2S/c1-37-9-11-38(12-10-37)8-3-13-40-27-17-25-21(16-26(27)39-2)29(34-18-33-25)35-23-6-4-19(14-22(23)32)30-36-24-7-5-20(31)15-28(24)41-30/h4-7,14-18H,3,8-13H2,1-2H3,(H,33,34,35)
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n/an/a 2.25E+3n/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