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Compile Data Set for Download or QSAR

Found 605 hits with Last Name = 'chang' and Initial = 'cn'   
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))
BDBM50321894
PNG
((Z)-2,4-Dimethyl-5-[2-oxo-6-(3-phenylureido)-1,2-d...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)Nc4ccccc4)ccc23)c(C)c1C(O)=O
Show InChI InChI=1S/C23H20N4O4/c1-12-18(24-13(2)20(12)22(29)30)11-17-16-9-8-15(10-19(16)27-21(17)28)26-23(31)25-14-6-4-3-5-7-14/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-11-
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n/an/a 0.200n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321892
PNG
((Z)-5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-di...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]cc(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C23H20N4O5/c1-12-18(22(29)30)11-24-19(12)10-17-16-8-5-14(9-20(16)27-21(17)28)26-23(31)25-13-3-6-15(32-2)7-4-13/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-10-
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n/an/a 0.5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
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))
BDBM50321892
PNG
((Z)-5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-di...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]cc(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C23H20N4O5/c1-12-18(22(29)30)11-24-19(12)10-17-16-8-5-14(9-20(16)27-21(17)28)26-23(31)25-13-3-6-15(32-2)7-4-13/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-10-
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n/an/a 0.5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321909
PNG
((Z)-1-Biphenyl-4-yl-3-[2-oxo-3-(1H-pyrrol-2-ylmeth...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C26H20N4O2/c31-25-23(15-20-7-4-14-27-20)22-13-12-21(16-24(22)30-25)29-26(32)28-19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-16,27H,(H,30,31)(H2,28,29,32)/b23-15-
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n/an/a 0.700n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50321892
PNG
((Z)-5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-di...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]cc(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C23H20N4O5/c1-12-18(22(29)30)11-24-19(12)10-17-16-8-5-14(9-20(16)27-21(17)28)26-23(31)25-13-3-6-15(32-2)7-4-13/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-10-
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n/an/a 0.800n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321908
PNG
((Z)-1-[2-Oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihyd...)
Show SMILES O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C26H20N4O3/c31-25-23(15-18-5-4-14-27-18)22-13-10-19(16-24(22)30-25)29-26(32)28-17-8-11-21(12-9-17)33-20-6-2-1-3-7-20/h1-16,27H,(H,30,31)(H2,28,29,32)/b23-15-
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n/an/a 0.800n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
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))
BDBM50321898
PNG
((Z)-{2,4-Dimethyl-5-[2-oxo-6-(3-phenylureido)-1,2-...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)Nc4ccccc4)ccc23)c(C)c1CC(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-13-18(12-22(29)30)14(2)25-20(13)11-19-17-9-8-16(10-21(17)28-23(19)31)27-24(32)26-15-6-4-3-5-7-15/h3-11,25H,12H2,1-2H3,(H,28,31)(H,29,30)(H2,26,27,32)/b19-11-
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n/an/a 0.900n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321906
PNG
((Z)-1-[2-Oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihyd...)
Show SMILES Cc1ccc(NC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C21H18N4O2/c1-13-4-6-14(7-5-13)23-21(27)24-16-8-9-17-18(11-15-3-2-10-22-15)20(26)25-19(17)12-16/h2-12,22H,1H3,(H,25,26)(H2,23,24,27)/b18-11-
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n/an/a 0.900n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50321892
PNG
((Z)-5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-di...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]cc(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C23H20N4O5/c1-12-18(22(29)30)11-24-19(12)10-17-16-8-5-14(9-20(16)27-21(17)28)26-23(31)25-13-3-6-15(32-2)7-4-13/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-10-
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n/an/a 0.980n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
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))
BDBM50321893
PNG
((Z)-1-[2-Oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihyd...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N4O2/c25-19-17(11-14-7-4-10-21-14)16-9-8-15(12-18(16)24-19)23-20(26)22-13-5-2-1-3-6-13/h1-12,21H,(H,24,25)(H2,22,23,26)/b17-11-
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n/an/a<1n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
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))
BDBM50321893
PNG
((Z)-1-[2-Oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihyd...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N4O2/c25-19-17(11-14-7-4-10-21-14)16-9-8-15(12-18(16)24-19)23-20(26)22-13-5-2-1-3-6-13/h1-12,21H,(H,24,25)(H2,22,23,26)/b17-11-
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n/an/a<1n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of human KDR phosphorylation in HUVEC cells after 24 hrs by Western blotting


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321910
PNG
((Z)-1-(3,4-Dimethoxyphenyl)-3-[2-oxo-3-(1H-pyrrol-...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1OC
Show InChI InChI=1S/C22H20N4O4/c1-29-19-8-6-15(12-20(19)30-2)25-22(28)24-14-5-7-16-17(10-13-4-3-9-23-13)21(27)26-18(16)11-14/h3-12,23H,1-2H3,(H,26,27)(H2,24,25,28)/b17-10-
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n/an/a 1.20n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50321892
PNG
((Z)-5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-di...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]cc(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C23H20N4O5/c1-12-18(22(29)30)11-24-19(12)10-17-16-8-5-14(9-20(16)27-21(17)28)26-23(31)25-13-3-6-15(32-2)7-4-13/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-10-
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n/an/a 1.20n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of AuroraB


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321905
PNG
((Z)-1-(4-Methoxyphenyl)-3-[2-oxo-3-(1H-pyrrol-2-yl...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C21H18N4O3/c1-28-16-7-4-13(5-8-16)23-21(27)24-15-6-9-17-18(11-14-3-2-10-22-14)20(26)25-19(17)12-15/h2-12,22H,1H3,(H,25,26)(H2,23,24,27)/b18-11-
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n/an/a 1.40n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50321905
PNG
((Z)-1-(4-Methoxyphenyl)-3-[2-oxo-3-(1H-pyrrol-2-yl...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C21H18N4O3/c1-28-16-7-4-13(5-8-16)23-21(27)24-15-6-9-17-18(11-14-3-2-10-22-14)20(26)25-19(17)12-15/h2-12,22H,1H3,(H,25,26)(H2,23,24,27)/b18-11-
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n/an/a 1.5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of cKIT


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321911
PNG
((Z)-1-Naphthalen-2-yl-3-[2-oxo-3-(1H-pyrrol-2-ylme...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccc2ccccc2c1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C30H22N4O2/c35-29-27(17-24-6-3-15-31-24)26-14-13-25(18-28(26)34-29)33-30(36)32-23-11-9-20(10-12-23)22-8-7-19-4-1-2-5-21(19)16-22/h1-18,31H,(H,34,35)(H2,32,33,36)/b27-17-
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n/an/a 1.5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM12178
PNG
((2S)-1-{[(2S,4S)-4-(2,3-dihydro-1H-isoindol-2-ylca...)
Show SMILES O=C([C@@H]1CN[C@@H](C1)C(=O)N1CCC[C@H]1C#N)N1Cc2ccccc2C1
Show InChI InChI=1S/C19H22N4O2/c20-9-16-6-3-7-23(16)19(25)17-8-15(10-21-17)18(24)22-11-13-4-1-2-5-14(13)12-22/h1-2,4-5,15-17,21H,3,6-8,10-12H2/t15-,16-,17-/m0/s1
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n/an/a 1.70n/an/an/an/a8.037



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


Bioorg Med Chem Lett 16: 3268-72 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.037
BindingDB Entry DOI: 10.7270/Q22805V8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321907
PNG
((Z)-1-(4-Chlorophenyl)-3-[2-oxo-3-(1H-pyrrol-2-ylm...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C20H15ClN4O2/c21-12-3-5-13(6-4-12)23-20(27)24-15-7-8-16-17(10-14-2-1-9-22-14)19(26)25-18(16)11-15/h1-11,22H,(H,25,26)(H2,23,24,27)/b17-10-
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n/an/a 1.90n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50321892
PNG
((Z)-5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-di...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]cc(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C23H20N4O5/c1-12-18(22(29)30)11-24-19(12)10-17-16-8-5-14(9-20(16)27-21(17)28)26-23(31)25-13-3-6-15(32-2)7-4-13/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-10-
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n/an/a 2.10n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321893
PNG
((Z)-1-[2-Oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihyd...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N4O2/c25-19-17(11-14-7-4-10-21-14)16-9-8-15(12-18(16)24-19)23-20(26)22-13-5-2-1-3-6-13/h1-12,21H,(H,24,25)(H2,22,23,26)/b17-11-
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n/an/a 2.30n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321900
PNG
((Z)-3-(5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(CCC(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C26H26N4O5/c1-14-19(10-11-24(31)32)15(2)27-22(14)13-21-20-9-6-17(12-23(20)30-25(21)33)29-26(34)28-16-4-7-18(35-3)8-5-16/h4-9,12-13,27H,10-11H2,1-3H3,(H,30,33)(H,31,32)(H2,28,29,34)/b21-13-
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n/an/a 2.70n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(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 3n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 3n/an/an/an/an/an/a



Industrial Technology Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by time resolved fluorescence method


Bioorg Med Chem Lett 20: 6129-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50321892
PNG
((Z)-5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-di...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]cc(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C23H20N4O5/c1-12-18(22(29)30)11-24-19(12)10-17-16-8-5-14(9-20(16)27-21(17)28)26-23(31)25-13-3-6-15(32-2)7-4-13/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-10-
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n/an/a 3.10n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of cKIT


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50321895
PNG
((Z)-5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-di...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C24H22N4O5/c1-12-19(25-13(2)21(12)23(30)31)11-18-17-9-6-15(10-20(17)28-22(18)29)27-24(32)26-14-4-7-16(33-3)8-5-14/h4-11,25H,1-3H3,(H,28,29)(H,30,31)(H2,26,27,32)/b18-11-
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n/an/a 3.30n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of cKIT


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
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))
BDBM50321895
PNG
((Z)-5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-di...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C24H22N4O5/c1-12-19(25-13(2)21(12)23(30)31)11-18-17-9-6-15(10-20(17)28-22(18)29)27-24(32)26-14-4-7-16(33-3)8-5-14/h4-11,25H,1-3H3,(H,28,29)(H,30,31)(H2,26,27,32)/b18-11-
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n/an/a 3.40n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321899
PNG
((Z)-(5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-d...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(CC(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C25H24N4O5/c1-13-19(12-23(30)31)14(2)26-21(13)11-20-18-9-6-16(10-22(18)29-24(20)32)28-25(33)27-15-4-7-17(34-3)8-5-15/h4-11,26H,12H2,1-3H3,(H,29,32)(H,30,31)(H2,27,28,33)/b20-11-
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n/an/a 4n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50321900
PNG
((Z)-3-(5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(CCC(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C26H26N4O5/c1-14-19(10-11-24(31)32)15(2)27-22(14)13-21-20-9-6-17(12-23(20)30-25(21)33)29-26(34)28-16-4-7-18(35-3)8-5-16/h4-9,12-13,27H,10-11H2,1-3H3,(H,30,33)(H,31,32)(H2,28,29,34)/b21-13-
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n/an/a 4.5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of cKIT


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
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))
BDBM50321899
PNG
((Z)-(5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-d...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(CC(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C25H24N4O5/c1-13-19(12-23(30)31)14(2)26-21(13)11-20-18-9-6-16(10-22(18)29-24(20)32)28-25(33)27-15-4-7-17(34-3)8-5-15/h4-11,26H,12H2,1-3H3,(H,29,32)(H,30,31)(H2,27,28,33)/b20-11-
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n/an/a 4.70n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50328416
PNG
((Z)-3-((4-(3-(dimethylamino)propoxy)-3-methylazule...)
Show SMILES CN(C)CCCOc1ccccc2c(\C=C3/C(=O)Nc4ccc(F)c(F)c34)cc(C)c12
Show InChI InChI=1S/C25H24F2N2O2/c1-15-13-16(14-18-23-20(28-25(18)30)10-9-19(26)24(23)27)17-7-4-5-8-21(22(15)17)31-12-6-11-29(2)3/h4-5,7-10,13-14H,6,11-12H2,1-3H3,(H,28,30)/b18-14-
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n/an/a 5n/an/an/an/an/an/a



Industrial Technology Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by time resolved fluorescence method


Bioorg Med Chem Lett 20: 6129-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50321893
PNG
((Z)-1-[2-Oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihyd...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N4O2/c25-19-17(11-14-7-4-10-21-14)16-9-8-15(12-18(16)24-19)23-20(26)22-13-5-2-1-3-6-13/h1-12,21H,(H,24,25)(H2,22,23,26)/b17-11-
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n/an/a 5.10n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of cKIT


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50321894
PNG
((Z)-2,4-Dimethyl-5-[2-oxo-6-(3-phenylureido)-1,2-d...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)Nc4ccccc4)ccc23)c(C)c1C(O)=O
Show InChI InChI=1S/C23H20N4O4/c1-12-18(24-13(2)20(12)22(29)30)11-17-16-9-8-15(10-19(16)27-21(17)28)26-23(31)25-14-6-4-3-5-7-14/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-11-
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n/an/a 5.80n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50321894
PNG
((Z)-2,4-Dimethyl-5-[2-oxo-6-(3-phenylureido)-1,2-d...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)Nc4ccccc4)ccc23)c(C)c1C(O)=O
Show InChI InChI=1S/C23H20N4O4/c1-12-18(24-13(2)20(12)22(29)30)11-17-16-9-8-15(10-19(16)27-21(17)28)26-23(31)25-14-6-4-3-5-7-14/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-11-
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n/an/a 6n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of cKIT


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 6.5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50321909
PNG
((Z)-1-Biphenyl-4-yl-3-[2-oxo-3-(1H-pyrrol-2-ylmeth...)
Show SMILES O=C(Nc1ccc(cc1)-c1ccccc1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C26H20N4O2/c31-25-23(15-20-7-4-14-27-20)22-13-12-21(16-24(22)30-25)29-26(32)28-19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-16,27H,(H,30,31)(H2,28,29,32)/b23-15-
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n/an/a 7.20n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of cKIT


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321896
PNG
((Z)-2,4-Dimethyl-5-[2-oxo-6-(3-p-tolylureido)-1,2-...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)Nc4ccc(C)cc4)ccc23)c(C)c1C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-12-4-6-15(7-5-12)26-24(32)27-16-8-9-17-18(22(29)28-20(17)10-16)11-19-13(2)21(23(30)31)14(3)25-19/h4-11,25H,1-3H3,(H,28,29)(H,30,31)(H2,26,27,32)/b18-11-
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n/an/a 7.30n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
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))
BDBM50321894
PNG
((Z)-2,4-Dimethyl-5-[2-oxo-6-(3-phenylureido)-1,2-d...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)Nc4ccccc4)ccc23)c(C)c1C(O)=O
Show InChI InChI=1S/C23H20N4O4/c1-12-18(24-13(2)20(12)22(29)30)11-17-16-9-8-15(10-19(16)27-21(17)28)26-23(31)25-14-6-4-3-5-7-14/h3-11,24H,1-2H3,(H,27,28)(H,29,30)(H2,25,26,31)/b17-11-
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n/an/a 7.60n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
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))
BDBM50321897
PNG
((Z)-5-{6-[3-(4-Chlorophenyl)-ureido]-2-oxo-1,2-dih...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)Nc4ccc(Cl)cc4)ccc23)c(C)c1C(O)=O
Show InChI InChI=1S/C23H19ClN4O4/c1-11-18(25-12(2)20(11)22(30)31)10-17-16-8-7-15(9-19(16)28-21(17)29)27-23(32)26-14-5-3-13(24)4-6-14/h3-10,25H,1-2H3,(H,28,29)(H,30,31)(H2,26,27,32)/b17-10-
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n/an/a 7.90n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50321907
PNG
((Z)-1-(4-Chlorophenyl)-3-[2-oxo-3-(1H-pyrrol-2-ylm...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C20H15ClN4O2/c21-12-3-5-13(6-4-12)23-20(27)24-15-7-8-16-17(10-14-2-1-9-22-14)19(26)25-18(16)11-15/h1-11,22H,(H,25,26)(H2,23,24,27)/b17-10-
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n/an/a 8.70n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 8.90n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50321907
PNG
((Z)-1-(4-Chlorophenyl)-3-[2-oxo-3-(1H-pyrrol-2-ylm...)
Show SMILES Clc1ccc(NC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C20H15ClN4O2/c21-12-3-5-13(6-4-12)23-20(27)24-15-7-8-16-17(10-14-2-1-9-22-14)19(26)25-18(16)11-15/h1-11,22H,(H,25,26)(H2,23,24,27)/b17-10-
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n/an/a 9n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of cKIT


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50321893
PNG
((Z)-1-[2-Oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihyd...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N4O2/c25-19-17(11-14-7-4-10-21-14)16-9-8-15(12-18(16)24-19)23-20(26)22-13-5-2-1-3-6-13/h1-12,21H,(H,24,25)(H2,22,23,26)/b17-11-
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n/an/a<10n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of human cKIT phosphorylation in HUVEC cells after 24 hrs by Western blotting


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
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))
BDBM50321896
PNG
((Z)-2,4-Dimethyl-5-[2-oxo-6-(3-p-tolylureido)-1,2-...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)Nc4ccc(C)cc4)ccc23)c(C)c1C(O)=O
Show InChI InChI=1S/C24H22N4O4/c1-12-4-6-15(7-5-12)26-24(32)27-16-8-9-17-18(22(29)28-20(17)10-16)11-19-13(2)21(23(30)31)14(3)25-19/h4-11,25H,1-3H3,(H,28,29)(H,30,31)(H2,26,27,32)/b18-11-
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n/an/a 10n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50321893
PNG
((Z)-1-[2-Oxo-3-(1H-pyrrol-2-ylmethylene)-2,3-dihyd...)
Show SMILES O=C(Nc1ccccc1)Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N4O2/c25-19-17(11-14-7-4-10-21-14)16-9-8-15(12-18(16)24-19)23-20(26)22-13-5-2-1-3-6-13/h1-12,21H,(H,24,25)(H2,22,23,26)/b17-11-
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n/an/a<10n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of human FLT3 phosphorylation in HUVEC cells after 24 hrs by Western blotting


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM50249053
PNG
(3-({2-[(2S),4-2S-Cyano-4-fluoropyrrolidin-1-yl]-2-...)
Show SMILES Cc1ncsc1[C@H]1C[C@@H]1NC(=O)CC(C)(C)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Show InChI InChI=1S/C19H26FN5O2S/c1-11-18(28-10-22-11)14-5-15(14)24-16(26)6-19(2,3)23-8-17(27)25-9-12(20)4-13(25)7-21/h10,12-15,23H,4-6,8-9H2,1-3H3,(H,24,26)/t12-,13-,14-,15-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibition of human DPP4 in presence of 50% human serum


Bioorg Med Chem 17: 2388-99 (2009)


Article DOI: 10.1016/j.bmc.2009.02.020
BindingDB Entry DOI: 10.7270/Q2416WZS
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))
BDBM50321900
PNG
((Z)-3-(5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(CCC(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C26H26N4O5/c1-14-19(10-11-24(31)32)15(2)27-22(14)13-21-20-9-6-17(12-23(20)30-25(21)33)29-26(34)28-16-4-7-18(35-3)8-5-16/h4-9,12-13,27H,10-11H2,1-3H3,(H,30,33)(H,31,32)(H2,28,29,34)/b21-13-
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n/an/a 10n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50321899
PNG
((Z)-(5-{6-[3-(4-Methoxyphenyl)-ureido]-2-oxo-1,2-d...)
Show SMILES COc1ccc(NC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(CC(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C25H24N4O5/c1-13-19(12-23(30)31)14(2)26-21(13)11-20-18-9-6-16(10-22(18)29-24(20)32)28-25(33)27-15-4-7-17(34-3)8-5-15/h4-11,26H,12H2,1-3H3,(H,29,32)(H,30,31)(H2,27,28,33)/b20-11-
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n/an/a 11n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem 18: 4674-86 (2011)


Article DOI: 10.1016/j.bmc.2010.05.021
BindingDB Entry DOI: 10.7270/Q2QF8TVS
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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n/an/a 12n/an/an/an/a8.037



National Health Research Institutes



Assay Description
The enzyme activity resulted in the liberation of free pNA at 405 nm. Reaction progress was monitored using a Molecular Devices SpectraMax Plus micro...


J Med Chem 49: 373-80 (2006)


Article DOI: 10.1021/jm0507781
BindingDB Entry DOI: 10.7270/Q28W3BJH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50328417
PNG
((Z)-4,5-difluoro-3-((3-methyl-4-(3-morpholinopropo...)
Show SMILES Cc1cc(\C=C2/C(=O)Nc3ccc(F)c(F)c23)c2ccccc(OCCCN3CCOCC3)c12
Show InChI InChI=1S/C27H26F2N2O3/c1-17-15-18(16-20-25-22(30-27(20)32)8-7-21(28)26(25)29)19-5-2-3-6-23(24(17)19)34-12-4-9-31-10-13-33-14-11-31/h2-3,5-8,15-16H,4,9-14H2,1H3,(H,30,32)/b20-16-
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n/an/a 12n/an/an/an/an/an/a



Industrial Technology Research Institute

Curated by ChEMBL


Assay Description
Inhibition of FLT3 by time resolved fluorescence method


Bioorg Med Chem Lett 20: 6129-32 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.025
BindingDB Entry DOI: 10.7270/Q2N29X51
More data for this
Ligand-Target Pair
Dipeptidyl peptidase 4


(Homo sapiens (Human))
BDBM11694
PNG
((2S)-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidin...)
Show SMILES N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C#N
Show InChI InChI=1S/C13H21N3O/c14-9-11-7-4-8-16(11)13(17)12(15)10-5-2-1-3-6-10/h10-12H,1-8,15H2/t11-,12-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Inhibitory concentration against Dipeptidyl-peptidase IV [DPP-IV]


Bioorg Med Chem Lett 15: 3271-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.04.051
BindingDB Entry DOI: 10.7270/Q2RF5TJX
More data for this
Ligand-Target Pair
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