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SMILES: CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12

InChI Key: InChIKey=UEJXELMBDCXXAQ-UHFFFAOYSA-N

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 20 hits for monomerid = 50136226   
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 Fgr


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 65n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FGR by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret Y791F mutant by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 23n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human p70S6K by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 21n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804L mutant by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 96n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human VGFR2 by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 72n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLT4 by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 6n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret M918T mutant by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 1.40n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human wild type RET by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 137n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HCK by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 82n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MEK2 by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 311n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human RSK1 by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 10n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret G691S mutant by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 4n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret V804M mutant by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 2n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human Ret S891A mutant by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM50136226
PNG
(CHEMBL3753341)
Show SMILES CC(C)n1nc(-c2cc(on2)C2CC2)c2c(N)ncnc12
Show InChI InChI=1S/C14H16N6O/c1-7(2)20-14-11(13(15)16-6-17-14)12(18-20)9-5-10(21-19-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H2,15,16,17)
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n/an/a 142n/an/an/an/an/an/a



Korea Institute of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MEK1 by radiometric assay in presence of [gamma-33P]-ATP

J Med Chem 59: 358-73 (2016)


BindingDB Entry DOI: 10.7270/Q2VD719M
More data for this
Ligand-Target Pair