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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 405.4
BDBM50558812

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 57 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a 22n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113329
BindingDB Entry DOI: 10.7270/Q2X63S0Q
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a 60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 5 mins followed by NADPH addition and further incubated for 10...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a 62n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BMX (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a 146n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human YES using biotinyl-beta Abeta-Abeta AYQAEENTYDEYEN as substrate incubate for 30 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 3


(Homo sapiens)
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
MMDB

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n/an/a 211n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Tec (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a 259n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LYN using biotinyl-beta Abeta-Abeta AKVEKIGEGTYGVVYK as substrate incubate for 120 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a 331n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TXK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a 504n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of BLK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a 637n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human LCK using Ulight-Poly GAT[EAY(1:1:1)]n as substrate incubate for 10 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a 640n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RET (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB

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n/an/a 657n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGR (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human SRC using Ulight-Poly GAT[EAY(1:1:1)]n as substrate incubate for 10 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a 1.01E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human FYN using biotinyl-beta Abeta-Abeta AYQAEENTYDEYEN as substrate incubate for 60 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a 1.11E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of HCK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a 1.13E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FRK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a 3.19E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver microsome CYP3A4 using dextromethorphan as substrate incubated for 5 mins followed by NADPH addition and further incubated ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a 3.54E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver microsome CYP2C9 using tolbutamide as substrate incubated for 5 mins followed by NADPH addition and further incubated for 1...


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MEKK2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MEKK3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MKK4 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MKK6 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human p70S6K using CREBtide as substrate incubate for 15 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mTOR (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human FMS using Ulight-TK peptide as substrate incubate for 15 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB

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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FLT3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MEK2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RSK1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human MEK1 using inactivated ERK2 as substrate incubate for 60 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CSK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CAMKK2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 1


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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TBA

Assay Description
Inhibition of CAMKK1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type IV


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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TBA

Assay Description
Inhibition of CAMK4 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit beta


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CAMK2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CAMK1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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TBA

Assay Description
Inhibition of recombinant human JAK2 using Ulight-CAGAGAIETDKEYYTVKD as substrate incubate for 60 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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TBA

Assay Description
Inhibition of JAK1 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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TBA

Assay Description
Inhibition of recombinant human JAK3 using Ulight-CAGAGAIETDKEYYTVKD as substrate incubate for 60 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of MKK7beta (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ErBB4 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of ErBB2 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate incubate for 15 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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TBA

Assay Description
Inhibition of ITK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human RSK2 using Histone H3 full length as substrate incubate for 10 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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TBA

Assay Description
Inhibition of TRKc (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TRKb using Ulight-Poly GAT[EAY(1:1:1)]n as substrate incubate for 10 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
PDB
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TRKa using Ulight-Poly GAT[EAY(1:1:1)]n as substrate incubate for 10 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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TBA

Assay Description
Inhibition of SYK (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TAK1 using Ulight-FLGFTYVAP as substrate incubate for 90 mins by LANCE assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-6


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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TBA

Assay Description
Inhibition of RSK4 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2


(Homo sapiens (Human))
BDBM50558812
PNG
(CHEMBL4755698)
Show SMILES Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
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n/an/a>1.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of RSK3 (unknown origin)


Citation and Details

Article DOI: 10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI: 10.7270/Q2P272TR
More data for this
Ligand-Target Pair
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