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3 similar compounds to monomer 50316790

Compile data set for download or QSAR
Wt: 442.5
BDBM50316787
Wt: 488.6
BDBM50316791
Wt: 502.7
BDBM50316779

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50316787,50316791,50316779   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50316787
PNG
(2-[5-(4-Hydroxyphenethoxy)-1-(5-phenylpentyl)-1Hin...)
Show SMILES NCCc1cn(CCCCCc2ccccc2)c2ccc(OCCc3ccc(O)cc3)cc12
Show InChI InChI=1S/C29H34N2O2/c30-18-16-25-22-31(19-6-2-5-9-23-7-3-1-4-8-23)29-15-14-27(21-28(25)29)33-20-17-24-10-12-26(32)13-11-24/h1,3-4,7-8,10-15,21-22,32H,2,5-6,9,16-20,30H2
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n/an/a 2.68E+3n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50316779
PNG
(2-{5-(4-Methoxyphenethoxy)-1-{5-[4-(methylthio)-ph...)
Show SMILES COc1ccc(CCOc2ccc3n(CCCCCc4ccc(SC)cc4)cc(CCN)c3c2)cc1
Show InChI InChI=1S/C31H38N2O2S/c1-34-27-11-7-25(8-12-27)18-21-35-28-13-16-31-30(22-28)26(17-19-32)23-33(31)20-5-3-4-6-24-9-14-29(36-2)15-10-24/h7-16,22-23H,3-6,17-21,32H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50316791
PNG
(2-{5-(4-Hydroxyphenethoxy)-1-{5-[4-(methylthio)-ph...)
Show SMILES CSc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C30H36N2O2S/c1-35-28-13-8-23(9-14-28)5-3-2-4-19-32-22-25(16-18-31)29-21-27(12-15-30(29)32)34-20-17-24-6-10-26(33)11-7-24/h6-15,21-22,33H,2-5,16-20,31H2,1H3
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n/an/a 2.5n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50316779
PNG
(2-{5-(4-Methoxyphenethoxy)-1-{5-[4-(methylthio)-ph...)
Show SMILES COc1ccc(CCOc2ccc3n(CCCCCc4ccc(SC)cc4)cc(CCN)c3c2)cc1
Show InChI InChI=1S/C31H38N2O2S/c1-34-27-11-7-25(8-12-27)18-21-35-28-13-16-31-30(22-28)26(17-19-32)23-33(31)20-5-3-4-6-24-9-14-29(36-2)15-10-24/h7-16,22-23H,3-6,17-21,32H2,1-2H3
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n/an/a 2.5n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50316787
PNG
(2-[5-(4-Hydroxyphenethoxy)-1-(5-phenylpentyl)-1Hin...)
Show SMILES NCCc1cn(CCCCCc2ccccc2)c2ccc(OCCc3ccc(O)cc3)cc12
Show InChI InChI=1S/C29H34N2O2/c30-18-16-25-22-31(19-6-2-5-9-23-7-3-1-4-8-23)29-15-14-27(21-28(25)29)33-20-17-24-10-12-26(32)13-11-24/h1,3-4,7-8,10-15,21-22,32H,2,5-6,9,16-20,30H2
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n/an/a 2.96E+3n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of IGF1R after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50316791
PNG
(2-{5-(4-Hydroxyphenethoxy)-1-{5-[4-(methylthio)-ph...)
Show SMILES CSc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C30H36N2O2S/c1-35-28-13-8-23(9-14-28)5-3-2-4-19-32-22-25(16-18-31)29-21-27(12-15-30(29)32)34-20-17-24-6-10-26(33)11-7-24/h6-15,21-22,33H,2-5,16-20,31H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50316779
PNG
(2-{5-(4-Methoxyphenethoxy)-1-{5-[4-(methylthio)-ph...)
Show SMILES COc1ccc(CCOc2ccc3n(CCCCCc4ccc(SC)cc4)cc(CCN)c3c2)cc1
Show InChI InChI=1S/C31H38N2O2S/c1-34-27-11-7-25(8-12-27)18-21-35-28-13-16-31-30(22-28)26(17-19-32)23-33(31)20-5-3-4-6-24-9-14-29(36-2)15-10-24/h7-16,22-23H,3-6,17-21,32H2,1-2H3
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n/an/a 0.980n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of IGF1R after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
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))
BDBM50316787
PNG
(2-[5-(4-Hydroxyphenethoxy)-1-(5-phenylpentyl)-1Hin...)
Show SMILES NCCc1cn(CCCCCc2ccccc2)c2ccc(OCCc3ccc(O)cc3)cc12
Show InChI InChI=1S/C29H34N2O2/c30-18-16-25-22-31(19-6-2-5-9-23-7-3-1-4-8-23)29-15-14-27(21-28(25)29)33-20-17-24-10-12-26(32)13-11-24/h1,3-4,7-8,10-15,21-22,32H,2,5-6,9,16-20,30H2
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n/an/a 2.83E+3n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
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))
BDBM50316791
PNG
(2-{5-(4-Hydroxyphenethoxy)-1-{5-[4-(methylthio)-ph...)
Show SMILES CSc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C30H36N2O2S/c1-35-28-13-8-23(9-14-28)5-3-2-4-19-32-22-25(16-18-31)29-21-27(12-15-30(29)32)34-20-17-24-6-10-26(33)11-7-24/h6-15,21-22,33H,2-5,16-20,31H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
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))
BDBM50316779
PNG
(2-{5-(4-Methoxyphenethoxy)-1-{5-[4-(methylthio)-ph...)
Show SMILES COc1ccc(CCOc2ccc3n(CCCCCc4ccc(SC)cc4)cc(CCN)c3c2)cc1
Show InChI InChI=1S/C31H38N2O2S/c1-34-27-11-7-25(8-12-27)18-21-35-28-13-16-31-30(22-28)26(17-19-32)23-33(31)20-5-3-4-6-24-9-14-29(36-2)15-10-24/h7-16,22-23H,3-6,17-21,32H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of VEGFR2 after 30 mins by chemiluminescence ELISA in presence of 25 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50316787
PNG
(2-[5-(4-Hydroxyphenethoxy)-1-(5-phenylpentyl)-1Hin...)
Show SMILES NCCc1cn(CCCCCc2ccccc2)c2ccc(OCCc3ccc(O)cc3)cc12
Show InChI InChI=1S/C29H34N2O2/c30-18-16-25-22-31(19-6-2-5-9-23-7-3-1-4-8-23)29-15-14-27(21-28(25)29)33-20-17-24-10-12-26(32)13-11-24/h1,3-4,7-8,10-15,21-22,32H,2,5-6,9,16-20,30H2
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n/an/a 1.63E+3n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Inhibition of EGFR after 30 mins by chemiluminescence ELISA


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50316791
PNG
(2-{5-(4-Hydroxyphenethoxy)-1-{5-[4-(methylthio)-ph...)
Show SMILES CSc1ccc(CCCCCn2cc(CCN)c3cc(OCCc4ccc(O)cc4)ccc23)cc1
Show InChI InChI=1S/C30H36N2O2S/c1-35-28-13-8-23(9-14-28)5-3-2-4-19-32-22-25(16-18-31)29-21-27(12-15-30(29)32)34-20-17-24-6-10-26(33)11-7-24/h6-15,21-22,33H,2-5,16-20,31H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



Universit£t Leipzig

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of IGF1R after 30 mins by chemiluminescence ELISA in presence of 50 uM ATP


Bioorg Med Chem 18: 3387-402 (2010)


Article DOI: 10.1016/j.bmc.2010.04.001
BindingDB Entry DOI: 10.7270/Q21836NT
More data for this
Ligand-Target Pair