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BDBM50437505 CHEMBL2409778

SMILES: Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1

InChI Key: InChIKey=HSKISFLIRPOYCF-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 = 50437505   
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


(Homo sapiens (Human))
BDBM50437505
PNG
(CHEMBL2409778)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
Show InChI InChI=1S/C22H20FN7O3/c1-12-9-18(29(2)27-12)21(32)24-17-10-14(5-7-16(17)23)33-15-6-8-19-25-22(28-30(19)11-15)26-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-tagged recombinant FAK (unknown origin) expressed in baculovirus expression system using biotinylated poly-GluTyr as su...


Bioorg Med Chem 21: 4714-29 (2013)


Article DOI: 10.1016/j.bmc.2013.04.042
BindingDB Entry DOI: 10.7270/Q2ZS2XZQ
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50437505
PNG
(CHEMBL2409778)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
Show InChI InChI=1S/C22H20FN7O3/c1-12-9-18(29(2)27-12)21(32)24-17-10-14(5-7-16(17)23)33-15-6-8-19-25-22(28-30(19)11-15)26-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of IGF1-R (unknown origin) using biotinylated poly-GluTyr as substrate by AlphaScreen assay


Bioorg Med Chem 21: 4714-29 (2013)


Article DOI: 10.1016/j.bmc.2013.04.042
BindingDB Entry DOI: 10.7270/Q2ZS2XZQ
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50437505
PNG
(CHEMBL2409778)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
Show InChI InChI=1S/C22H20FN7O3/c1-12-9-18(29(2)27-12)21(32)24-17-10-14(5-7-16(17)23)33-15-6-8-19-25-22(28-30(19)11-15)26-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of IR (unknown origin) using biotinylated poly-GluTyr as substrate by AlphaScreen assay


Bioorg Med Chem 21: 4714-29 (2013)


Article DOI: 10.1016/j.bmc.2013.04.042
BindingDB Entry DOI: 10.7270/Q2ZS2XZQ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50437505
PNG
(CHEMBL2409778)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
Show InChI InChI=1S/C22H20FN7O3/c1-12-9-18(29(2)27-12)21(32)24-17-10-14(5-7-16(17)23)33-15-6-8-19-25-22(28-30(19)11-15)26-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,28,31)
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n/an/a 12n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) using biotinylated poly-GluTyr as substrate by AlphaScreen assay


Bioorg Med Chem 21: 4714-29 (2013)


Article DOI: 10.1016/j.bmc.2013.04.042
BindingDB Entry DOI: 10.7270/Q2ZS2XZQ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50437505
PNG
(CHEMBL2409778)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
Show InChI InChI=1S/C22H20FN7O3/c1-12-9-18(29(2)27-12)21(32)24-17-10-14(5-7-16(17)23)33-15-6-8-19-25-22(28-30(19)11-15)26-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,28,31)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of aurora A (unknown origin) in presence of [gamma-33P]-ATP


Bioorg Med Chem 21: 4714-29 (2013)


Article DOI: 10.1016/j.bmc.2013.04.042
BindingDB Entry DOI: 10.7270/Q2ZS2XZQ
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50437505
PNG
(CHEMBL2409778)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
Show InChI InChI=1S/C22H20FN7O3/c1-12-9-18(29(2)27-12)21(32)24-17-10-14(5-7-16(17)23)33-15-6-8-19-25-22(28-30(19)11-15)26-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of aurora A (unknown origin) in presence of [gamma-33P]-ATP


Bioorg Med Chem 21: 4714-29 (2013)


Article DOI: 10.1016/j.bmc.2013.04.042
BindingDB Entry DOI: 10.7270/Q2ZS2XZQ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50437505
PNG
(CHEMBL2409778)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
Show InChI InChI=1S/C22H20FN7O3/c1-12-9-18(29(2)27-12)21(32)24-17-10-14(5-7-16(17)23)33-15-6-8-19-25-22(28-30(19)11-15)26-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,28,31)
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n/an/a 14n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) using biotinylated poly-GluTyr as substrate preincubated for 5 mins followed by ATP addition by AlphaScreen ...


Bioorg Med Chem 21: 4714-29 (2013)


Article DOI: 10.1016/j.bmc.2013.04.042
BindingDB Entry DOI: 10.7270/Q2ZS2XZQ
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50437505
PNG
(CHEMBL2409778)
Show SMILES Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2F)n(C)n1
Show InChI InChI=1S/C22H20FN7O3/c1-12-9-18(29(2)27-12)21(32)24-17-10-14(5-7-16(17)23)33-15-6-8-19-25-22(28-30(19)11-15)26-20(31)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,24,32)(H,26,28,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of B-raf (unknown origin) in presence of [gamma-33P]-ATP


Bioorg Med Chem 21: 4714-29 (2013)


Article DOI: 10.1016/j.bmc.2013.04.042
BindingDB Entry DOI: 10.7270/Q2ZS2XZQ
More data for this
Ligand-Target Pair