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Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50048116   
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
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 0.400n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 0.860n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 t...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 1.5n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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n/an/a 1.60n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205145
PNG
(CHEMBL3947425)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5OC(F)(F)F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C35H35F4N7O6/c1-43-14-16-45(17-15-43)13-6-18-50-31-21-25-23(20-30(31)49-3)27(11-12-40-25)51-28-10-9-22(19-24(28)36)41-33(47)32-42-46(34(48)44(32)2)26-7-4-5-8-29(26)52-35(37,38)39/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,41,47)
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n/an/a 2.10n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of Ron (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to 4...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205141
PNG
(CHEMBL3918992)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C35H36F2N6O5/c1-22-12-16-42(17-13-22)15-6-18-47-32-21-27-24(20-31(32)46-3)29(11-14-38-27)48-30-10-9-23(19-26(30)37)39-34(44)33-40-43(35(45)41(33)2)28-8-5-4-7-25(28)36/h4-5,7-11,14,19-22H,6,12-13,15-18H2,1-3H3,(H,39,44)
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n/an/a 3n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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n/an/a 3.40n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 3.60n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 3.60n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after 2 to ...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205139
PNG
(CHEMBL3911896)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5OC(F)(F)F)c(=O)n4C4CC4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C37H37F4N7O6/c1-45-15-17-46(18-16-45)14-5-19-52-33-22-27-25(21-32(33)51-2)29(12-13-42-27)53-30-11-8-23(20-26(30)38)43-35(49)34-44-48(36(50)47(34)24-9-10-24)28-6-3-4-7-31(28)54-37(39,40)41/h3-4,6-8,11-13,20-22,24H,5,9-10,14-19H2,1-2H3,(H,43,49)
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n/an/a 3.90n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205147
PNG
(CHEMBL3911762)
Show SMILES CCn1c(nn(-c2ccccc2OC(F)(F)F)c1=O)C(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCC(C)CC4)c(OC)cc23)c(F)c1
Show InChI InChI=1S/C37H38F4N6O6/c1-4-46-34(44-47(36(46)49)28-8-5-6-9-31(28)53-37(39,40)41)35(48)43-24-10-11-30(26(38)20-24)52-29-12-15-42-27-22-33(32(50-3)21-25(27)29)51-19-7-16-45-17-13-23(2)14-18-45/h5-6,8-12,15,20-23H,4,7,13-14,16-19H2,1-3H3,(H,43,48)
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n/an/a 4.30n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205148
PNG
(CHEMBL3938747)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5Cl)c(=O)n4C4CC4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C36H37ClFN7O5/c1-42-15-17-43(18-16-42)14-5-19-49-33-22-28-25(21-32(33)48-2)30(12-13-39-28)50-31-11-8-23(20-27(31)38)40-35(46)34-41-45(29-7-4-3-6-26(29)37)36(47)44(34)24-9-10-24/h3-4,6-8,11-13,20-22,24H,5,9-10,14-19H2,1-2H3,(H,40,46)
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n/an/a 4.60n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 6.70n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-Kit (unknown origin) using biotinylated-poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measur...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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n/an/a 8.20n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin) after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205142
PNG
(CHEMBL3954957)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(OC(F)F)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C36H37F3N6O6/c1-22-12-16-44(17-13-22)15-4-18-49-32-21-28-26(20-31(32)48-3)29(11-14-40-28)51-30-10-5-23(19-27(30)37)41-34(46)33-42-45(36(47)43(33)2)24-6-8-25(9-7-24)50-35(38)39/h5-11,14,19-22,35H,4,12-13,15-18H2,1-3H3,(H,41,46)
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n/an/a 8.70n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB | US10464902, Foretinib | US10882853, Co...)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
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n/an/a 9.60n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) using poly(Glu, Tyr)4:1 as substrate preincubated for 60 mins followed by substrate addition measured after ...


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205144
PNG
(CHEMBL3945791)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5cccc(F)c5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35F2N7O5/c1-40-13-15-42(16-14-40)12-5-17-47-31-21-27-25(20-30(31)46-3)28(10-11-37-27)48-29-9-8-23(19-26(29)36)38-33(44)32-39-43(34(45)41(32)2)24-7-4-6-22(35)18-24/h4,6-11,18-21H,5,12-17H2,1-3H3,(H,38,44)
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n/an/a 10n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205143
PNG
(CHEMBL3937387)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(F)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C35H36F2N6O5/c1-22-12-16-42(17-13-22)15-4-18-47-32-21-28-26(20-31(32)46-3)29(11-14-38-28)48-30-10-7-24(19-27(30)37)39-34(44)33-40-43(35(45)41(33)2)25-8-5-23(36)6-9-25/h5-11,14,19-22H,4,12-13,15-18H2,1-3H3,(H,39,44)
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n/an/a 11n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50205146
PNG
(CHEMBL3956129)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccc(Cl)cc5Cl)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C35H35Cl2FN6O5/c1-21-10-14-43(15-11-21)13-4-16-48-32-20-27-24(19-31(32)47-3)29(9-12-39-27)49-30-8-6-23(18-26(30)38)40-34(45)33-41-44(35(46)42(33)2)28-7-5-22(36)17-25(28)37/h5-9,12,17-21H,4,10-11,13-16H2,1-3H3,(H,40,45)
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n/an/a 13n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50204947
PNG
(CHEMBL3946271)
Show SMILES COc1ccc(cc1)-n1nc(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c(OC)cc34)c(F)c2)n(C)c1=O
Show InChI InChI=1S/C35H37FN6O6/c1-40-33(39-42(35(40)44)24-9-11-25(45-2)12-10-24)34(43)38-23-8-13-30(27(36)20-23)48-29-14-15-37-28-22-32(31(46-3)21-26(28)29)47-19-7-18-41-16-5-4-6-17-41/h8-15,20-22H,4-7,16-19H2,1-3H3,(H,38,43)
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n/an/a 32n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of c-MET (unknown origin) using poly(Glu, Tyr)4:1 as substrate after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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n/an/a 95n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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n/an/a 141n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of Ron (unknown origin) after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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n/an/a 480n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50205140
PNG
(CHEMBL3946811)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C34H35F2N7O5/c1-40-14-16-42(17-15-40)13-6-18-47-31-21-26-23(20-30(31)46-3)28(11-12-37-26)48-29-10-9-22(19-25(29)36)38-33(44)32-39-43(34(45)41(32)2)27-8-5-4-7-24(27)35/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,38,44)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University)

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) after 30 mins by HTRF assay


Eur J Med Chem 123: 431-446 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.059
BindingDB Entry DOI: 10.7270/Q2KK9DR0
More data for this
Ligand-Target Pair