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BDBM50372158 CHEMBL404367

SMILES: Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1

InChI Key: InChIKey=GEGCXGMFUYJULA-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50372158   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cKit by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a>1.25E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FYN by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a>1.25E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of SRC by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1 by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR kinase activity (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a 4.60n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a 1.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR (unknown origin) in cell-based assay


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a 1.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR (unknown origin) in cell-based assay


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of KDR kinase activity (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-011-9926-4
BindingDB Entry DOI: 10.7270/Q2W66PNT
More data for this
Ligand-Target Pair
Macrophage colony stimulating factor receptor


(Homo sapiens (Human))
BDBM50372158
PNG
(CHEMBL404367)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cncc3n(C)nc(N)c23)c1
Show InChI InChI=1S/C21H20N6O/c1-13-4-3-5-16(10-13)25-21(28)24-15-8-6-14(7-9-15)17-11-23-12-18-19(17)20(22)26-27(18)2/h3-12H,1-2H3,(H2,22,26)(H2,24,25,28)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CSF1R by HTRF assay


Bioorg Med Chem Lett 18: 386-90 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.018
BindingDB Entry DOI: 10.7270/Q21837B6
More data for this
Ligand-Target Pair