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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with all data for entry = 50042691   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 1n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 in human MV4-11 cells assessed as inhibition of Erk1/2 phosphorylation after 20 hrs by Western blotting analysis


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 in human MV4-11 cells assessed as inhibition of STAT5 phosphorylation after 20 hrs by Western blotting analysis


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 phosphorylation in human MV4-11 cells after 20 hrs by Western blotting analysis


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50429478
PNG
(CHEMBL2331570)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)c1
Show InChI InChI=1S/C19H13F3N6O2/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-4-6-14(7-5-12)30-17-15-9-25-28-16(15)23-10-24-17/h1-10H,(H2,26,27,29)(H,23,24,25,28)
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n/an/a 9n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50429478
PNG
(CHEMBL2331570)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)c1
Show InChI InChI=1S/C19H13F3N6O2/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-4-6-14(7-5-12)30-17-15-9-25-28-16(15)23-10-24-17/h1-10H,(H2,26,27,29)(H,23,24,25,28)
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n/an/a 11n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 12n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50429479
PNG
(CHEMBL2332849)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)cc1
Show InChI InChI=1S/C19H13F3N6O2/c20-19(21,22)11-1-3-12(4-2-11)26-18(29)27-13-5-7-14(8-6-13)30-17-15-9-25-28-16(15)23-10-24-17/h1-10H,(H2,26,27,29)(H,23,24,25,28)
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n/an/a 32n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(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 33n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50429479
PNG
(CHEMBL2332849)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)cc1
Show InChI InChI=1S/C19H13F3N6O2/c20-19(21,22)11-1-3-12(4-2-11)26-18(29)27-13-5-7-14(8-6-13)30-17-15-9-25-28-16(15)23-10-24-17/h1-10H,(H2,26,27,29)(H,23,24,25,28)
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n/an/a 38n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 39n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 72n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of c-RAF (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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 90n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 223n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 408n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 507n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Danio rerio)
BDBM50429478
PNG
(CHEMBL2331570)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)c1
Show InChI InChI=1S/C19H13F3N6O2/c20-19(21,22)11-2-1-3-13(8-11)27-18(29)26-12-4-6-14(7-5-12)30-17-15-9-25-28-16(15)23-10-24-17/h1-10H,(H2,26,27,29)(H,23,24,25,28)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by ...


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Danio rerio)
BDBM50429479
PNG
(CHEMBL2332849)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)cc1
Show InChI InChI=1S/C19H13F3N6O2/c20-19(21,22)11-1-3-12(4-2-11)26-18(29)27-13-5-7-14(8-6-13)30-17-15-9-25-28-16(15)23-10-24-17/h1-10H,(H2,26,27,29)(H,23,24,25,28)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by ...


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 1.81E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of FGFR2 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Danio rerio)
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 2.25E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by ...


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Danio rerio)
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 2.60E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by ...


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Danio rerio)
BDBM50429481
PNG
(CHEMBL2332870)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C20H12F6N6O2/c21-19(22,23)10-5-11(20(24,25)26)7-13(6-10)31-18(33)30-12-1-3-14(4-2-12)34-17-15-8-29-32-16(15)27-9-28-17/h1-9H,(H2,30,31,33)(H,27,28,29,32)
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n/an/a 5.18E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by ...


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Danio rerio)
BDBM50429484
PNG
(CHEMBL2332867)
Show SMILES CC(C)c1cccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)c1
Show InChI InChI=1S/C21H20N6O2/c1-13(2)14-4-3-5-16(10-14)26-21(28)25-15-6-8-17(9-7-15)29-20-18-11-24-27-19(18)22-12-23-20/h3-13H,1-2H3,(H2,25,26,28)(H,22,23,24,27)
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n/an/a 7.73E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by ...


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Danio rerio)
BDBM50429480
PNG
(CHEMBL2332871)
Show SMILES FC(F)(F)c1ccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)c(Cl)c1
Show InChI InChI=1S/C19H12ClF3N6O2/c20-14-7-10(19(21,22)23)1-6-15(14)28-18(30)27-11-2-4-12(5-3-11)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a 8.46E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by ...


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of ERBB4 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of ERBB2 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Pim-1 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of SYK (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of CDK2 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of CAMK4 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CTK


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of CTK (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Protein delta homolog 1


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of ERN1 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Myotonin-protein kinase


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of DMPK (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (MLK1)


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of MLK1 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of CHEK1 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of MEK1 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PAK1 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
p21-Activated kinase 2 (PAK2)


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PAK2 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of PAK4 (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50429477
PNG
(CHEMBL2332840)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)ccc1Cl
Show InChI InChI=1S/C19H12ClF3N6O2/c20-15-6-3-11(7-14(15)19(21,22)23)28-18(30)27-10-1-4-12(5-2-10)31-17-13-8-26-29-16(13)24-9-25-17/h1-9H,(H2,27,28,30)(H,24,25,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin)


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Danio rerio)
BDBM50429483
PNG
(CHEMBL2332868)
Show SMILES Fc1cccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)c1
Show InChI InChI=1S/C18H13FN6O2/c19-11-2-1-3-13(8-11)24-18(26)23-12-4-6-14(7-5-12)27-17-15-9-22-25-16(15)20-10-21-17/h1-10H,(H2,23,24,26)(H,20,21,22,25)
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n/an/a 1.66E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by ...


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Danio rerio)
BDBM50429482
PNG
(CHEMBL2332869)
Show SMILES FC(F)(F)Oc1cccc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)c1
Show InChI InChI=1S/C19H13F3N6O3/c20-19(21,22)31-14-3-1-2-12(8-14)27-18(29)26-11-4-6-13(7-5-11)30-17-15-9-25-28-16(15)23-10-24-17/h1-10H,(H2,26,27,29)(H,23,24,25,28)
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n/an/a 1.78E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by ...


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Danio rerio)
BDBM50429491
PNG
(CHEMBL2332860)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(Oc2ncnc3n[nH]cc23)cc1
Show InChI InChI=1S/C18H14N6O2/c25-18(22-12-4-2-1-3-5-12)23-13-6-8-14(9-7-13)26-17-15-10-21-24-16(15)19-11-20-17/h1-11H,(H2,22,23,25)(H,19,20,21,24)
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n/an/a 2.02E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by ...


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Danio rerio)
BDBM50429492
PNG
(CHEMBL2332859)
Show SMILES Brc1ccc(CC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)cc1
Show InChI InChI=1S/C19H14BrN5O2/c20-13-3-1-12(2-4-13)9-17(26)24-14-5-7-15(8-6-14)27-19-16-10-23-25-18(16)21-11-22-19/h1-8,10-11H,9H2,(H,24,26)(H,21,22,23,25)
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n/an/a 7.47E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by ...


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Danio rerio)
BDBM50429493
PNG
(CHEMBL2332858)
Show SMILES Brc1ccc(cc1)C(=O)Nc1ccc(Oc2ncnc3n[nH]cc23)cc1
Show InChI InChI=1S/C18H12BrN5O2/c19-12-3-1-11(2-4-12)17(25)23-13-5-7-14(8-6-13)26-18-15-9-22-24-16(15)20-10-21-18/h1-10H,(H,23,25)(H,20,21,22,24)
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n/an/a 7.47E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of intersegmental vessels formation measured 33 hrs post fertilization by ...


J Med Chem 56: 1641-55 (2013)


Article DOI: 10.1021/jm301537p
BindingDB Entry DOI: 10.7270/Q29S1SC5
More data for this
Ligand-Target Pair
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