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BDBM50248146 CHEMBL461109::N2-(4-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine

SMILES: Cc1cc(Nc2ccnc(Nc3ccc(cc3)-c3nc4ccccc4s3)n2)[nH]n1

InChI Key: InChIKey=KOFCLQKGQYBGNB-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50248146   
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))
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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n/an/a 7.00E+3n/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
Insulin receptor


(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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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
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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n/an/a 370n/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
Epidermal growth factor receptor


(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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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
Vascular endothelial growth factor receptor 2


(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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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