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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 491.5
BDBM50510133

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

Found 39 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
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild-type N-terminal GST-His6-fused FGFR3 C-terminal domain (R397 to T806 residues) expressed in Sf9 insect cells usi...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused TRKB C-terminal domain (V526 to G838 residues) expressed in Sf9 insect cells using Poly(Glu...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
SRSF protein kinase 1


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-His6-fused SRPK1 (M1 to S655 residues) expressed in Sf9 insect cells using RS-peptide as s...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 7.90E+3n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused ERBB4 C-terminal domain (R676 to V1307 residues) expressed in Sf9 cells using Poly(Glu:Tyr)...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 8.80E+3n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-His6-fused SRC (M1 to L536 residues) expressed in Sf9 insect cells using Poly(Glu:Tyr)4:1 ...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild-type N-terminal GST-His6-fused EGFR C-terminal domain (H672 to A1210) expressed in Sf9 insect cells using Poly(G...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused FGFR4 (R391 to T802 residues) expressed in baculovirus infected Sf9 cells using Poly(Glu:Ty...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
3-phosphoinositide-dependent protein kinase 1


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-fused PDK1 (M1 to M460 residues) expressed in Sf9 insect cells using tetra(LRRWSLG) peptide as substr...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild-type N-terminal GST-His6-fused KIT C-terminal domain (T544 to V976 residues) expressed in Sf9 insect cells using...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild-type N-terminal GST-His6-fused FGFR1 C-terminal domain (G400 to R820 residues) expressed in Sf9 insect cells usi...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-His6-fused CLK1 (M1 to I484 residues) expressed in Sf9 cells using RS-peptide as substrate...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild-type N-terminal GST-His6-fused TRKA C-terminal domain (G443 to G796 residues) expressed in Sf9 insect cells usin...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 10


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 1.80E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP3K10 measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused AKT2 C-terminal domain (A107 to E481 residues) expressed in Sf9 insect cells using GSK3(14-...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused FGFR2 C-terminal domain (R400 to T822 residues) expressed in Sf9 insect cells using TRK-C d...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild-type N-terminal GST-His6-fused ERBB2 C-terminal domain (Q679 to V1255 residues) expressed in Sf9 insect cells us...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-fused VEGFR2 C-terminal domain (D807 to V1356 residues) expressed in Sf9 insect cells using Poly(Glu:T...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human ROCK1 measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 4.30E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged VEGFR1 C-terminal domain (K784 to I1338 residues) expressed in Sf9 insect cells using Poly(Glu:...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild-type N-terminal GST-His6-fused PDGFR-alpha C-terminal domain (Q551 to L1089 residues) expressed in Sf9 insect ce...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 6.10E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild-type N-terminal GST-His6-fused MET C-terminal domain (K956 to S1390 residues) expressed in Sf9 insect cells usin...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 15


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 6.10E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 4xFLAG-tagged/C-terminal His8-fused ERK7 N-terminal domain (M1 to R354 residues) expressed in Sf9 insect c...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 6.50E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-His6 fused ERK1 (M1 to P379 residues) expressed in Escherichia coli using RBER-CHKtide as ...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 1


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 6.60E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal 4xFLAG-tagged/C-terminal His8 fused MAP3K1 C-terminal domain (M1193 to W1512 residues) expressed in Sf9 in...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 6.60E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length untagged ERK2 (M1 to S360 residues) expressed in Escherichia coli using recombinant ELK1 as substrate mea...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 6.90E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild-type N-terminal GST-His6-fused ABL1 internal domain (P118 to S535 residues) expressed in Sf9 insect cells using ...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 7.40E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MEK2 measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 7.90E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CHK2 measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 7.90E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused WEE1 C-terminal domain (Q36 to Y432 residues) expressed in Sf9 cells using Poly(Ala,Glu,Lys...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 8.10E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6-fused PDGFR-beta C-terminal domain (R561 to L1106 residues) expressed in Sf9 insect cells using P...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 8.80E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length untagged p38-alpha (M1 to S360 residues) expressed in Escherichia coli cells using recombinant ATF2 as su...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 7


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal FLAG-tagged/C-terminal His8 fused ERK5 internal fragment domain (L5 to Q397 residues) expressed in Sf9 ins...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 9.90E+4n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-His6-fused CK2-alpha2 (M1 to R350 residues) expressed in Sf9 insect cells using casein as ...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-fused FAK (2 to 1052 residues) expressed in Sf9 insect cells using Poly(Glu/Tyr)4:1 as substrate measu...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-His6 fused VEGFR3 C-terminal domain (N799 to R1298 residues) expressed in baculovirus infected Sf9 ins...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP3K9 measured after 60 mins in presence of [gamma-33P]-ATP by scintillation counting method


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human wild-type full-length MEK1 (M1 to V393 residues) expressed in Sf9 insect cells using ERK2-K54R as substrate measured ...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
RAC-beta serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-His6-fused AKT2 (M1 to E481 residues) expressed in Sf9 insect cells using GSK3-derived pep...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50510133
PNG
(CHEMBL4446681)
Show SMILES CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C32H30FN3O/c1-35(19-18-23-8-10-25(11-9-23)24-6-4-3-5-7-24)21-27-22-36(2)31-17-12-26(20-30(27)31)32(37)34-29-15-13-28(33)14-16-29/h3-17,20,22H,18-19,21H2,1-2H3,(H,34,37)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Naples Federico II

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length N-terminal GST-fused CK2-alpha1 (M1 to Q391 residues) expressed in Sf9 insect cells using casein as subst...


Eur J Med Chem 167: 61-75 (2019)


Article DOI: 10.1016/j.ejmech.2019.01.066
BindingDB Entry DOI: 10.7270/Q2FT8QB4
More data for this
Ligand-Target Pair