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BDBM50260917 3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluoromethyl)phenyl)pyridin-2(1H)-one::3-(2-aminoquinazolin-6-yl)-4-methyl-1-[3-(trifluoromethyl)phenyl]pyridin-2(1H)-one::CHEMBL504805

SMILES: Cc1ccn(-c2cccc(c2)C(F)(F)F)c(=O)c1-c1ccc2nc(N)ncc2c1

InChI Key: InChIKey=HXUZQEYFKAZBPX-UHFFFAOYSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 50260917   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50260917
PNG
(3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluor...)
Show SMILES Cc1ccn(-c2cccc(c2)C(F)(F)F)c(=O)c1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C21H15F3N4O/c1-12-7-8-28(16-4-2-3-15(10-16)21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of Abl (unknown origin) by TR-FRET assay


J Med Chem 51: 3065-8 (2008)


Article DOI: 10.1021/jm800188g
BindingDB Entry DOI: 10.7270/Q2DN44TT
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50260917
PNG
(3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluor...)
Show SMILES Cc1ccn(-c2cccc(c2)C(F)(F)F)c(=O)c1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C21H15F3N4O/c1-12-7-8-28(16-4-2-3-15(10-16)21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) by TR-FRET assay


J Med Chem 51: 3065-8 (2008)


Article DOI: 10.1021/jm800188g
BindingDB Entry DOI: 10.7270/Q2DN44TT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50260917
PNG
(3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluor...)
Show SMILES Cc1ccn(-c2cccc(c2)C(F)(F)F)c(=O)c1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C21H15F3N4O/c1-12-7-8-28(16-4-2-3-15(10-16)21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) by TR-FRET assay


J Med Chem 51: 3065-8 (2008)


Article DOI: 10.1021/jm800188g
BindingDB Entry DOI: 10.7270/Q2DN44TT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50260917
PNG
(3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluor...)
Show SMILES Cc1ccn(-c2cccc(c2)C(F)(F)F)c(=O)c1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C21H15F3N4O/c1-12-7-8-28(16-4-2-3-15(10-16)21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
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n/an/a 28n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of SCF-induced phosphorylation of c-Kit (unknown origin) in MO7e cells by TR-FRET assay


J Med Chem 51: 3065-8 (2008)


Article DOI: 10.1021/jm800188g
BindingDB Entry DOI: 10.7270/Q2DN44TT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50260917
PNG
(3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluor...)
Show SMILES Cc1ccn(-c2cccc(c2)C(F)(F)F)c(=O)c1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C21H15F3N4O/c1-12-7-8-28(16-4-2-3-15(10-16)21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of Lck (unknown origin) by TR-FRET assay


J Med Chem 51: 3065-8 (2008)


Article DOI: 10.1021/jm800188g
BindingDB Entry DOI: 10.7270/Q2DN44TT
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50260917
PNG
(3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluor...)
Show SMILES Cc1ccn(-c2cccc(c2)C(F)(F)F)c(=O)c1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C21H15F3N4O/c1-12-7-8-28(16-4-2-3-15(10-16)21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
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n/an/a 860n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of Src (unknown origin) by TR-FRET assay


J Med Chem 51: 3065-8 (2008)


Article DOI: 10.1021/jm800188g
BindingDB Entry DOI: 10.7270/Q2DN44TT
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50260917
PNG
(3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluor...)
Show SMILES Cc1ccn(-c2cccc(c2)C(F)(F)F)c(=O)c1-c1ccc2nc(N)ncc2c1
Show InChI InChI=1S/C21H15F3N4O/c1-12-7-8-28(16-4-2-3-15(10-16)21(22,23)24)19(29)18(12)13-5-6-17-14(9-13)11-26-20(25)27-17/h2-11H,1H3,(H2,25,26,27)
PDB

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PC sid
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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) by TR-FRET assay


J Med Chem 51: 3065-8 (2008)


Article DOI: 10.1021/jm800188g
BindingDB Entry DOI: 10.7270/Q2DN44TT
More data for this
Ligand-Target Pair