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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50014005   
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a 1.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571721
PNG
(CHEMBL4874046)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1
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n/an/a 1.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571706
PNG
(CHEMBL4850588)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Cl)n2)C(F)(F)F)cc1
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n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571710
PNG
(CHEMBL4872224)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cccc(Br)c3)n2)C(F)(F)F)cc1
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571708
PNG
(CHEMBL4873348)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cccc(F)c3)n2)C(F)(F)F)cc1
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n/an/a 4.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571711
PNG
(CHEMBL4860092)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccc(F)cc3)n2)C(F)(F)F)cc1
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n/an/a 4.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571709
PNG
(CHEMBL4853818)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3cccc(Cl)c3)n2)C(F)(F)F)cc1
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n/an/a 5.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571714
PNG
(CHEMBL4874518)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3OC)n2)C(F)(F)F)cc1
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n/an/a 5.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571705
PNG
(CHEMBL4865567)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3F)n2)C(F)(F)F)cc1
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n/an/a 5.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571707
PNG
(CHEMBL4850002)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Br)n2)C(F)(F)F)cc1
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571718
PNG
(CHEMBL4849851)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3[N+]([O-])=O)n2)C(F)(F)F)cc1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50571721
PNG
(CHEMBL4874046)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50571721
PNG
(CHEMBL4874046)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TRKA (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571727
PNG
(CHEMBL4869055)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccc(NS(C)(=O)=O)cc3)n2)C(F)(F)F)cc1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50571721
PNG
(CHEMBL4874046)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK3 (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571726
PNG
(CHEMBL4877387)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccc(NC(C)=O)cc3)n2)C(F)(F)F)cc1
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50571721
PNG
(CHEMBL4874046)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1
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n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TYK2 (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571722
PNG
(CHEMBL4858762)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3cccc(OC)c3)n2)C(F)(F)F)cc1
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n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50571721
PNG
(CHEMBL4874046)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Pyk2 (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571719
PNG
(CHEMBL4863844)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccc(N)cc3)n2)C(F)(F)F)cc1
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a 27n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TRKA (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK2 (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571715
PNG
(CHEMBL4849923)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccc(OC)cc3)n2)C(F)(F)F)cc1
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n/an/a 29n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50571721
PNG
(CHEMBL4874046)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1
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n/an/a 30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TRKC (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571720
PNG
(CHEMBL4864858)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3cccc(N)c3)n2)C(F)(F)F)cc1
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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571716
PNG
(CHEMBL4847034)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccc(F)cc3)n2)C(F)(F)F)cc1
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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50571706
PNG
(CHEMBL4850588)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Cl)n2)C(F)(F)F)cc1
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n/an/a 32n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TRKA (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571717
PNG
(CHEMBL4852217)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3Cl)n2)C(F)(F)F)cc1
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n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571725
PNG
(CHEMBL4869158)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccc(OC)c(Cl)c3)n2)C(F)(F)F)cc1
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571712
PNG
(CHEMBL4879100)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccc(Cl)cc3)n2)C(F)(F)F)cc1
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50571706
PNG
(CHEMBL4850588)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Cl)n2)C(F)(F)F)cc1
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TBA

Assay Description
Inhibition of JAK2 (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50571721
PNG
(CHEMBL4874046)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1
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TBA

Assay Description
Inhibition of TRKB (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571724
PNG
(CHEMBL4848228)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccc(OC)c(F)c3)n2)C(F)(F)F)cc1
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TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50571706
PNG
(CHEMBL4850588)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Cl)n2)C(F)(F)F)cc1
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TBA

Assay Description
Inhibition of TYK2 (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571713
PNG
(CHEMBL4864144)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccc(Br)cc3)n2)C(F)(F)F)cc1
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TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50571706
PNG
(CHEMBL4850588)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Cl)n2)C(F)(F)F)cc1
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TBA

Assay Description
Inhibition of JAK3 (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a 55n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TRKB (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50571723
PNG
(CHEMBL4867150)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccc(OC)cc3)n2)C(F)(F)F)cc1
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n/an/a 56n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FAK (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a 58n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of TRKC (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a 87n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Pyk2 (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50571706
PNG
(CHEMBL4850588)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Cl)n2)C(F)(F)F)cc1
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TBA

Assay Description
Inhibition of TRKC (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50571706
PNG
(CHEMBL4850588)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Cl)n2)C(F)(F)F)cc1
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TBA

Assay Description
Inhibition of TRKB (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a 115n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK3 (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Protein-tyrosine kinase 2-beta


(Homo sapiens (Human))
BDBM50571706
PNG
(CHEMBL4850588)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Cl)n2)C(F)(F)F)cc1
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TBA

Assay Description
Inhibition of Pyk2 (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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TBA

Assay Description
Inhibition of TYK2 (unknown origin) measured after 40 mins by HTRF


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50571706
PNG
(CHEMBL4850588)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3ccccc3Cl)n2)C(F)(F)F)cc1
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TBA

Assay Description
Inhibition of VEGFR-2 (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM418817
PNG
(N-methyl-4-({4-[({3- [methyl(methylsulfonyl)amino]...)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)S(C)(=O)=O)n2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30)
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n/an/a 273n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of VEGFR-2 (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50571721
PNG
(CHEMBL4874046)
Show SMILES CNC(=O)c1ccc(Nc2ncc(c(Nc3ccccc3OC)n2)C(F)(F)F)cc1
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TBA

Assay Description
Inhibition of VEGFR-2 (unknown origin) incubated for 40 mins by HTRF assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113573
BindingDB Entry DOI: 10.7270/Q2125XFH
More data for this
Ligand-Target Pair