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PubMed code 23550937

Compile data set for download or QSAR
Found 72 hits of Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
AKT/p21CIP1


(Homo sapiens (human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 20n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 20n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek1


(Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 500n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 660n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a 720n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a 770n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a 780n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MEK1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKBKB (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RPS6K1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RAF1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a 2.60E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a 3.30E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek1


(Homo sapiens (Human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a 3.60E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKBKB (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a 6.00E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RPS6K1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a 6.50E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a 6.50E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RAF1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 6.70E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPKAPK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a 8.50E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RAF1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a 9.00E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MEK1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a 9.80E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPKAPK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RPS6K1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a 1.28E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MEK1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a 1.30E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek1


(Homo sapiens (Human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a 1.40E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKBKB (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKBKB (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a 1.60E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPKAPK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a 2.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a 2.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RPS6K1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a 2.40E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RAF1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a 2.60E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a 2.70E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a 3.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MEK1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a 3.40E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKBKB (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50431029
PNG
(CHEMBL574646)
Show SMILES O=C1\C(CNC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H15N3O/c21-17-13(9-15-5-1-3-7-19-15)11-18-12-14(17)10-16-6-2-4-8-20-16/h1-10,18H,11-12H2/b13-9+,14-10+
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n/an/a 3.50E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPK14 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase Complex 1


(Homo sapiens-Homo sapiens (Human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a 4.60E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AMPK A1/B1/G1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a 7.20E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant IKBKB (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek1


(Homo sapiens (Human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a 7.70E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek1


(Homo sapiens (Human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a 8.30E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek1


(Homo sapiens (Human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a 8.30E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant NEK1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a 9.20E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPK14 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPK14 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RAF1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MEK1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RPS6K1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPKAPK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPK14 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RAF1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50431027
PNG
(CHEMBL2036343)
Show SMILES O=C1\C(CSC\C1=C/c1ccccn1)=C\c1ccccn1
Show InChI InChI=1S/C17H14N2OS/c20-17-13(9-15-5-1-3-7-18-15)11-21-12-14(17)10-16-6-2-4-8-19-16/h1-10H,11-12H2/b13-9+,14-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPK14 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50431030
PNG
(CHEMBL379849)
Show SMILES Fc1ccccc1\C=C1/CNC\C(=C/c2ccccc2F)C1=O
Show InChI InChI=1S/C19H15F2NO/c20-17-7-3-1-5-13(17)9-15-11-22-12-16(19(15)23)10-14-6-2-4-8-18(14)21/h1-10,22H,11-12H2/b15-9+,16-10+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPKAPK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50431028
PNG
(CHEMBL2338333)
Show SMILES CN1C\C(=C/c2ccccn2)C(=O)\C(C1)=C\c1ccccn1
Show InChI InChI=1S/C18H17N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-11H,12-13H2,1H3/b14-10+,15-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPK14 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant RPS6K1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant KDR (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MAPKAPK2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50431025
PNG
(CHEMBL2338335)
Show SMILES CN1C[C@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant MEK1 (unknown origin) by cascade reaction assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (human))
BDBM50431026
PNG
(CHEMBL2338334)
Show SMILES CN1C[C@@H](Cc2ccccn2)C(=O)C(C1)=Cc1ccccn1
Show InChI InChI=1S/C18H19N3O/c1-21-12-14(10-16-6-2-4-8-19-16)18(22)15(13-21)11-17-7-3-5-9-20-17/h2-10,15H,11-13H2,1H3/t15-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT2 (unknown origin) by FRET-based Z'-LYTE assay


J Med Chem 56: 3456-66 (2013)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%