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Compile Data Set for Download or QSAR

Found 60 hits with Last Name = 'mahmoud' and Initial = 'aee'   
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 1


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 1.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 1.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mouse VEGFR-2 (785 to 1376 residues)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 1.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 1.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PDGFR beta (561 to 1106 residues) (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 1.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TIE2 (unknown origin) using biotin-Ahx-EPKDDAYPLYSDFG peptide as substrate by HTRF method


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Mus musculus (mouse))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 1.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of mouse VEGFR-3 (818 to 1363 residues)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 1.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of BRAF (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 1.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of RAF1 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 7n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of RAF1 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 30n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human wild type BRAF by Kinase-Glo luminescence assay


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50363397
PNG
(CHEMBL1946170 | REGORAFENIB | US10183928, Regorafe...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1
Show InChI InChI=1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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n/an/a 40n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human wild type BRAF by Kinase-Glo luminescence assay


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 60n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PDGFR beta (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 80n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of c-kit (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 100n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
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n/an/a 110n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human wild type BRAF by Kinase-Glo luminescence assay


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525513
PNG
(CHEMBL4558790)
Show SMILES OC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C20H14N4O3S/c21-11-13-1-3-14(4-2-13)17(25)12-28-20-22-10-9-18(24-20)23-16-7-5-15(6-8-16)19(26)27/h1-10H,12H2,(H,26,27)(H,22,23,24)
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n/an/a 120n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
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n/an/a 130n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
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n/an/a 130n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of RAF1 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50525511
PNG
(CHEMBL4573547)
Show SMILES CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C22H18N4O3S/c1-2-29-21(28)17-7-9-18(10-8-17)25-20-11-12-24-22(26-20)30-14-19(27)16-5-3-15(13-23)4-6-16/h3-12H,2,14H2,1H3,(H,24,25,26)
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n/an/a 150n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human wild type BRAF by Kinase-Glo luminescence assay


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
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n/an/a 150n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PDGFR beta (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525510
PNG
(CHEMBL4574832)
Show SMILES OC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C19H14ClN3O3S/c20-14-5-1-12(2-6-14)16(24)11-27-19-21-10-9-17(23-19)22-15-7-3-13(4-8-15)18(25)26/h1-10H,11H2,(H,25,26)(H,21,22,23)
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n/an/a 170n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525511
PNG
(CHEMBL4573547)
Show SMILES CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C22H18N4O3S/c1-2-29-21(28)17-7-9-18(10-8-17)25-20-11-12-24-22(26-20)30-14-19(27)16-5-3-15(13-23)4-6-16/h3-12H,2,14H2,1H3,(H,24,25,26)
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n/an/a 170n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525507
PNG
(CHEMBL4566054)
Show SMILES CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(OC)cc3)n2)cc1
Show InChI InChI=1S/C22H21N3O4S/c1-3-29-21(27)16-4-8-17(9-5-16)24-20-12-13-23-22(25-20)30-14-19(26)15-6-10-18(28-2)11-7-15/h4-13H,3,14H2,1-2H3,(H,23,24,25)
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n/an/a 190n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50525506
PNG
(CHEMBL4448435)
Show SMILES CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)[N+]([O-])=O)n2)cc1
Show InChI InChI=1S/C21H18N4O5S/c1-2-30-20(27)15-3-7-16(8-4-15)23-19-11-12-22-21(24-19)31-13-18(26)14-5-9-17(10-6-14)25(28)29/h3-12H,2,13H2,1H3,(H,22,23,24)
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n/an/a 220n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human wild type BRAF by Kinase-Glo luminescence assay


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525512
PNG
(CHEMBL4465126)
Show SMILES CC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C20H16ClN3O2S/c1-13(25)14-4-8-17(9-5-14)23-19-10-11-22-20(24-19)27-12-18(26)15-2-6-16(21)7-3-15/h2-11H,12H2,1H3,(H,22,23,24)
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n/an/a 220n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
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n/an/a 250n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of c-kit (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
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n/an/a 260n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50525511
PNG
(CHEMBL4573547)
Show SMILES CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C22H18N4O3S/c1-2-29-21(28)17-7-9-18(10-8-17)25-20-11-12-24-22(26-20)30-14-19(27)16-5-3-15(13-23)4-6-16/h3-12H,2,14H2,1H3,(H,24,25,26)
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n/an/a 280n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525509
PNG
(CHEMBL4590013)
Show SMILES CC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)-c3ccccc3)n2)cc1
Show InChI InChI=1S/C26H21N3O2S/c1-18(30)19-11-13-23(14-12-19)28-25-15-16-27-26(29-25)32-17-24(31)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-16H,17H2,1H3,(H,27,28,29)
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n/an/a 280n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525508
PNG
(CHEMBL4549103)
Show SMILES COc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C23H24N4O3S/c1-29-20-8-2-17(3-9-20)21(28)16-31-23-24-11-10-22(26-23)25-18-4-6-19(7-5-18)27-12-14-30-15-13-27/h2-11H,12-16H2,1H3,(H,24,25,26)
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n/an/a 290n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525514
PNG
(CHEMBL4469216)
Show SMILES CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)-c3ccccc3)n2)cc1
Show InChI InChI=1S/C27H23N3O3S/c1-2-33-26(32)22-12-14-23(15-13-22)29-25-16-17-28-27(30-25)34-18-24(31)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-17H,2,18H2,1H3,(H,28,29,30)
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n/an/a 340n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50525510
PNG
(CHEMBL4574832)
Show SMILES OC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C19H14ClN3O3S/c20-14-5-1-12(2-6-14)16(24)11-27-19-21-10-9-17(23-19)22-15-7-3-13(4-8-15)18(25)26/h1-10H,11H2,(H,25,26)(H,21,22,23)
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n/an/a 370n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human wild type BRAF by Kinase-Glo luminescence assay


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50525511
PNG
(CHEMBL4573547)
Show SMILES CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C22H18N4O3S/c1-2-29-21(28)17-7-9-18(10-8-17)25-20-11-12-24-22(26-20)30-14-19(27)16-5-3-15(13-23)4-6-16/h3-12H,2,14H2,1H3,(H,24,25,26)
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n/an/a 390n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of PDGFR beta (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50525511
PNG
(CHEMBL4573547)
Show SMILES CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C22H18N4O3S/c1-2-29-21(28)17-7-9-18(10-8-17)25-20-11-12-24-22(26-20)30-14-19(27)16-5-3-15(13-23)4-6-16/h3-12H,2,14H2,1H3,(H,24,25,26)
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n/an/a 410n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of RAF1 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50525507
PNG
(CHEMBL4566054)
Show SMILES CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(OC)cc3)n2)cc1
Show InChI InChI=1S/C22H21N3O4S/c1-3-29-21(27)16-4-8-17(9-5-16)24-20-12-13-23-22(25-20)30-14-19(26)15-6-10-18(28-2)11-7-15/h4-13H,3,14H2,1-2H3,(H,23,24,25)
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n/an/a 410n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human wild type BRAF by Kinase-Glo luminescence assay


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525506
PNG
(CHEMBL4448435)
Show SMILES CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)[N+]([O-])=O)n2)cc1
Show InChI InChI=1S/C21H18N4O5S/c1-2-30-20(27)15-3-7-16(8-4-15)23-19-11-12-22-21(24-19)31-13-18(26)14-5-9-17(10-6-14)25(28)29/h3-12H,2,13H2,1H3,(H,22,23,24)
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n/an/a 410n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525498
PNG
(CHEMBL4474945)
Show SMILES COc1ccc(cc1)C(=O)CSc1nccc(Nc2cccc(c2)C(C)=O)n1
Show InChI InChI=1S/C21H19N3O3S/c1-14(25)16-4-3-5-17(12-16)23-20-10-11-22-21(24-20)28-13-19(26)15-6-8-18(27-2)9-7-15/h3-12H,13H2,1-2H3,(H,22,23,24)
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n/an/a 420n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50525508
PNG
(CHEMBL4549103)
Show SMILES COc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C23H24N4O3S/c1-29-20-8-2-17(3-9-20)21(28)16-31-23-24-11-10-22(26-23)25-18-4-6-19(7-5-18)27-12-14-30-15-13-27/h2-11H,12-16H2,1H3,(H,24,25,26)
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n/an/a 440n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human wild type BRAF by Kinase-Glo luminescence assay


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525500
PNG
(CHEMBL4539297)
Show SMILES CC(=O)c1cccc(Nc2ccnc(SCC(=O)c3ccc(Cl)cc3)n2)c1
Show InChI InChI=1S/C20H16ClN3O2S/c1-13(25)15-3-2-4-17(11-15)23-19-9-10-22-20(24-19)27-12-18(26)14-5-7-16(21)8-6-14/h2-11H,12H2,1H3,(H,22,23,24)
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n/an/a 480n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50525496
PNG
(CHEMBL4449189)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C22H21FN4O2S/c23-17-3-1-16(2-4-17)20(28)15-30-22-24-10-9-21(26-22)25-18-5-7-19(8-6-18)27-11-13-29-14-12-27/h1-10H,11-15H2,(H,24,25,26)
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n/an/a 480n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525517
PNG
(CHEMBL4467107)
Show SMILES COc1ccc(cc1)C(=O)CSc1nccc(Nc2ccc(cc2)C(C)=O)n1
Show InChI InChI=1S/C21H19N3O3S/c1-14(25)15-3-7-17(8-4-15)23-20-11-12-22-21(24-20)28-13-19(26)16-5-9-18(27-2)10-6-16/h3-12H,13H2,1-2H3,(H,22,23,24)
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n/an/a 490n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525503
PNG
(CHEMBL4438418)
Show SMILES OC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)-c3ccccc3)n2)cc1
Show InChI InChI=1S/C25H19N3O3S/c29-22(19-8-6-18(7-9-19)17-4-2-1-3-5-17)16-32-25-26-15-14-23(28-25)27-21-12-10-20(11-13-21)24(30)31/h1-15H,16H2,(H,30,31)(H,26,27,28)
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n/an/a 570n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50525512
PNG
(CHEMBL4465126)
Show SMILES CC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(Cl)cc3)n2)cc1
Show InChI InChI=1S/C20H16ClN3O2S/c1-13(25)14-4-8-17(9-5-14)23-19-10-11-22-20(24-19)27-12-18(26)15-2-6-16(21)7-3-15/h2-11H,12H2,1H3,(H,22,23,24)
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n/an/a 640n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human wild type BRAF by Kinase-Glo luminescence assay


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 670n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of FGFR1 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525493
PNG
(CHEMBL4474922)
Show SMILES CC(=O)c1cccc(Nc2ccnc(SCC(=O)c3ccc(cc3)-c3ccccc3)n2)c1
Show InChI InChI=1S/C26H21N3O2S/c1-18(30)22-8-5-9-23(16-22)28-25-14-15-27-26(29-25)32-17-24(31)21-12-10-20(11-13-21)19-6-3-2-4-7-19/h2-16H,17H2,1H3,(H,27,28,29)
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n/an/a 740n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525497
PNG
(CHEMBL4561629)
Show SMILES CC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(Br)cc3)n2)cc1
Show InChI InChI=1S/C20H16BrN3O2S/c1-13(25)14-4-8-17(9-5-14)23-19-10-11-22-20(24-19)27-12-18(26)15-2-6-16(21)7-3-15/h2-11H,12H2,1H3,(H,22,23,24)
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n/an/a 950n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50525509
PNG
(CHEMBL4590013)
Show SMILES CC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)-c3ccccc3)n2)cc1
Show InChI InChI=1S/C26H21N3O2S/c1-18(30)19-11-13-23(14-12-19)28-25-15-16-27-26(29-25)32-17-24(31)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-16H,17H2,1H3,(H,27,28,29)
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n/an/a 1.05E+3n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human wild type BRAF by Kinase-Glo luminescence assay


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50525516
PNG
(CHEMBL4470636)
Show SMILES O=C(CSc1nccc(Nc2ccc(cc2)N2CCOCC2)n1)c1ccc(cc1)C#N
Show InChI InChI=1S/C23H21N5O2S/c24-15-17-1-3-18(4-2-17)21(29)16-31-23-25-10-9-22(27-23)26-19-5-7-20(8-6-19)28-11-13-30-14-12-28/h1-10H,11-14,16H2,(H,25,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST tagged VEGFR-2 expressed in baculovirus infected Sf9 cells using poly (Glu,Tyr) 4:1 as substrate in presence of AT...


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50525511
PNG
(CHEMBL4573547)
Show SMILES CCOC(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(cc3)C#N)n2)cc1
Show InChI InChI=1S/C22H18N4O3S/c1-2-29-21(28)17-7-9-18(10-8-17)25-20-11-12-24-22(26-20)30-14-19(27)16-5-3-15(13-23)4-6-16/h3-12H,2,14H2,1H3,(H,24,25,26)
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n/an/a 1.39E+3n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin)


Eur J Med Chem 179: 707-722 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.063
BindingDB Entry DOI: 10.7270/Q2PC35S4
More data for this
Ligand-Target Pair
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