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Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for entry = 50046292   
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))
BDBM50103899
PNG
(CHEMBL3594105)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C35H36ClFN6O5/c1-22-33(40-35(45)43(22)28-8-5-4-7-25(28)36)34(44)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(46-3)20-24(27)29)47-18-6-13-42-16-14-41(2)15-17-42/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,44)(H,40,45)
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n/an/a 1.40n/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-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
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 1.60n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103900
PNG
(CHEMBL3594104)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccccc5Cl)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-9.62,-6.65,;-10.39,-9.01,;-11.93,-8.85,;-12.44,-7.4,;-13.96,-7.13,;-14.95,-8.3,;-14.43,-9.75,;-12.91,-10.02,;-12.5,-11.18,;-9.62,-10.34,;-10.12,-11.47,;-8.11,-10.02,;-7.19,-10.83,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C36H38ClFN6O5/c1-23-34(42(3)36(46)44(23)29-9-6-5-8-26(29)37)35(45)40-24-10-11-31(27(38)20-24)49-30-12-13-39-28-22-33(32(47-4)21-25(28)30)48-19-7-14-43-17-15-41(2)16-18-43/h5-6,8-13,20-22H,7,14-19H2,1-4H3,(H,40,45)
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n/an/a 2.90n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
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 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 Ron (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103901
PNG
(CHEMBL3594103)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccccc5Cl)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-9.62,-6.65,;-10.39,-9.01,;-11.93,-8.85,;-12.44,-7.4,;-13.96,-7.13,;-14.95,-8.3,;-14.43,-9.75,;-12.91,-10.02,;-12.5,-11.18,;-9.62,-10.34,;-10.12,-11.47,;-8.11,-10.02,;-7.19,-10.83,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C37H39ClFN5O5/c1-23-13-17-43(18-14-23)16-7-19-48-34-22-29-26(21-33(34)47-4)31(12-15-40-29)49-32-11-10-25(20-28(32)39)41-36(45)35-24(2)44(37(46)42(35)3)30-9-6-5-8-27(30)38/h5-6,8-12,15,20-23H,7,13-14,16-19H2,1-4H3,(H,41,45)
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n/an/a 4.20n/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 c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103917
PNG
(CHEMBL3593692)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(Cl)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C36H38ClFN6O5/c1-23-34(42(3)36(46)44(23)26-9-6-24(37)7-10-26)35(45)40-25-8-11-31(28(38)20-25)49-30-12-13-39-29-22-33(32(47-4)21-27(29)30)48-19-5-14-43-17-15-41(2)16-18-43/h6-13,20-22H,5,14-19H2,1-4H3,(H,40,45)
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n/an/a 4.40n/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-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
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 4.90n/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 VEGFR-2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103910
PNG
(CHEMBL3593888)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(F)c(Cl)c5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C36H37ClF2N6O5/c1-22-34(43(3)36(47)45(22)24-7-8-27(38)26(37)19-24)35(46)41-23-6-9-31(28(39)18-23)50-30-10-11-40-29-21-33(32(48-4)20-25(29)30)49-17-5-12-44-15-13-42(2)14-16-44/h6-11,18-21H,5,12-17H2,1-4H3,(H,41,46)
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n/an/a 5.20n/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 c-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103919
PNG
(CHEMBL3593690)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(F)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C36H38F2N6O5/c1-23-34(42(3)36(46)44(23)26-9-6-24(37)7-10-26)35(45)40-25-8-11-31(28(38)20-25)49-30-12-13-39-29-22-33(32(47-4)21-27(29)30)48-19-5-14-43-17-15-41(2)16-18-43/h6-13,20-22H,5,14-19H2,1-4H3,(H,40,45)
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n/an/a 5.40n/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-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
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 5.60n/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 FLT-3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103918
PNG
(CHEMBL3593691)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(Cl)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C37H39ClFN5O5/c1-23-13-17-43(18-14-23)16-5-19-48-34-22-30-28(21-33(34)47-4)31(12-15-40-30)49-32-11-8-26(20-29(32)39)41-36(45)35-24(2)44(37(46)42(35)3)27-9-6-25(38)7-10-27/h6-12,15,20-23H,5,13-14,16-19H2,1-4H3,(H,41,45)
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n/an/a 5.60n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103912
PNG
(CHEMBL3593886)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(F)c(F)c5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C36H37F3N6O5/c1-22-34(43(3)36(47)45(22)24-7-8-26(37)27(38)19-24)35(46)41-23-6-9-31(28(39)18-23)50-30-10-11-40-29-21-33(32(48-4)20-25(29)30)49-17-5-12-44-15-13-42(2)14-16-44/h6-11,18-21H,5,12-17H2,1-4H3,(H,41,46)
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n/an/a 5.80n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103920
PNG
(CHEMBL3593689)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(F)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C37H39F2N5O5/c1-23-13-17-43(18-14-23)16-5-19-48-34-22-30-28(21-33(34)47-4)31(12-15-40-30)49-32-11-8-26(20-29(32)39)41-36(45)35-24(2)44(37(46)42(35)3)27-9-6-25(38)7-10-27/h6-12,15,20-23H,5,13-14,16-19H2,1-4H3,(H,41,45)
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n/an/a 6.30n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
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 poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103911
PNG
(CHEMBL3593887)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(F)c(Cl)c5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C37H38ClF2N5O5/c1-22-11-15-44(16-12-22)14-5-17-49-34-21-30-26(20-33(34)48-4)31(10-13-41-30)50-32-9-6-24(18-29(32)40)42-36(46)35-23(2)45(37(47)43(35)3)25-7-8-28(39)27(38)19-25/h6-10,13,18-22H,5,11-12,14-17H2,1-4H3,(H,42,46)
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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-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103913
PNG
(CHEMBL3593885)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(F)c(F)c5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C37H38F3N5O5/c1-22-11-15-44(16-12-22)14-5-17-49-34-21-30-26(20-33(34)48-4)31(10-13-41-30)50-32-9-6-24(18-29(32)40)42-36(46)35-23(2)45(37(47)43(35)3)25-7-8-27(38)28(39)19-25/h6-10,13,18-22H,5,11-12,14-17H2,1-4H3,(H,42,46)
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n/an/a 7.40n/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-Met (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103902
PNG
(CHEMBL3594102)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccccc5C(F)(F)F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-9.62,-6.65,;-10.39,-9.01,;-11.93,-8.85,;-12.44,-7.4,;-13.96,-7.13,;-14.95,-8.3,;-14.43,-9.75,;-12.91,-10.02,;-12.39,-11.47,;-11.18,-11.69,;-13.18,-12.41,;-11.97,-12.63,;-9.62,-10.34,;-10.12,-11.47,;-8.11,-10.02,;-7.19,-10.83,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C37H38F4N6O5/c1-23-34(45(3)36(49)47(23)29-9-6-5-8-26(29)37(39,40)41)35(48)43-24-10-11-31(27(38)20-24)52-30-12-13-42-28-22-33(32(50-4)21-25(28)30)51-19-7-14-46-17-15-44(2)16-18-46/h5-6,8-13,20-22H,7,14-19H2,1-4H3,(H,43,48)
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n/an/a 8.10n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103906
PNG
(CHEMBL3593254)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(cc5)C(F)(F)F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C37H38F4N6O5/c1-23-34(45(3)36(49)47(23)26-9-6-24(7-10-26)37(39,40)41)35(48)43-25-8-11-31(28(38)20-25)52-30-12-13-42-29-22-33(32(50-4)21-27(29)30)51-19-5-14-46-17-15-44(2)16-18-46/h6-13,20-22H,5,14-19H2,1-4H3,(H,43,48)
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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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103903
PNG
(CHEMBL3594101)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccccc5C(F)(F)F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-9.62,-6.65,;-10.39,-9.01,;-11.92,-8.85,;-12.44,-7.4,;-13.96,-7.13,;-14.95,-8.3,;-14.43,-9.75,;-12.91,-10.02,;-12.39,-11.47,;-11.18,-11.69,;-13.18,-12.41,;-11.97,-12.63,;-9.62,-10.34,;-10.12,-11.47,;-8.11,-10.02,;-7.19,-10.83,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C38H39F4N5O5/c1-23-13-17-46(18-14-23)16-7-19-51-34-22-29-26(21-33(34)50-4)31(12-15-43-29)52-32-11-10-25(20-28(32)39)44-36(48)35-24(2)47(37(49)45(35)3)30-9-6-5-8-27(30)38(40,41)42/h5-6,8-12,15,20-23H,7,13-14,16-19H2,1-4H3,(H,44,48)
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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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103915
PNG
(CHEMBL3593883)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(Br)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C36H38BrFN6O5/c1-23-34(42(3)36(46)44(23)26-9-6-24(37)7-10-26)35(45)40-25-8-11-31(28(38)20-25)49-30-12-13-39-29-22-33(32(47-4)21-27(29)30)48-19-5-14-43-17-15-41(2)16-18-43/h6-13,20-22H,5,14-19H2,1-4H3,(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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103907
PNG
(CHEMBL3593891)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(cc5)C(F)(F)F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C38H39F4N5O5/c1-23-13-17-46(18-14-23)16-5-19-51-34-22-30-28(21-33(34)50-4)31(12-15-43-30)52-32-11-8-26(20-29(32)39)44-36(48)35-24(2)47(37(49)45(35)3)27-9-6-25(7-10-27)38(40,41)42/h6-12,15,20-23H,5,13-14,16-19H2,1-4H3,(H,44,48)
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n/an/a 15n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103916
PNG
(CHEMBL3593882)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(Br)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C37H39BrFN5O5/c1-23-13-17-43(18-14-23)16-5-19-48-34-22-30-28(21-33(34)47-4)31(12-15-40-30)49-32-11-8-26(20-29(32)39)41-36(45)35-24(2)44(37(46)42(35)3)27-9-6-25(38)7-10-27/h6-12,15,20-23H,5,13-14,16-19H2,1-4H3,(H,41,45)
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n/an/a 18n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103914
PNG
(CHEMBL3593884)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(F)c(F)c5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H34F3N5O6/c1-21-33(41(2)35(45)43(21)23-6-7-25(36)26(37)18-23)34(44)40-22-5-8-30(27(38)17-22)49-29-9-10-39-28-20-32(31(46-3)19-24(28)29)48-14-4-11-42-12-15-47-16-13-42/h5-10,17-20H,4,11-16H2,1-3H3,(H,40,44)
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n/an/a 19n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103904
PNG
(CHEMBL3594100)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5cccc(c5)C(F)(F)F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C37H38F4N6O5/c1-23-34(45(3)36(49)47(23)26-8-5-7-24(19-26)37(39,40)41)35(48)43-25-9-10-31(28(38)20-25)52-30-11-12-42-29-22-33(32(50-4)21-27(29)30)51-18-6-13-46-16-14-44(2)15-17-46/h5,7-12,19-22H,6,13-18H2,1-4H3,(H,43,48)
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n/an/a 19n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103908
PNG
(CHEMBL3593890)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(OC(F)(F)F)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C37H38F4N6O6/c1-23-34(45(3)36(49)47(23)25-7-9-26(10-8-25)53-37(39,40)41)35(48)43-24-6-11-31(28(38)20-24)52-30-12-13-42-29-22-33(32(50-4)21-27(29)30)51-19-5-14-46-17-15-44(2)16-18-46/h6-13,20-22H,5,14-19H2,1-4H3,(H,43,48)
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n/an/a 21n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103922
PNG
(CHEMBL3593686)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(C)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C37H41FN6O5/c1-24-7-10-27(11-8-24)44-25(2)35(42(4)37(44)46)36(45)40-26-9-12-32(29(38)21-26)49-31-13-14-39-30-23-34(33(47-5)22-28(30)31)48-20-6-15-43-18-16-41(3)17-19-43/h7-14,21-23H,6,15-20H2,1-5H3,(H,40,45)
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n/an/a 24n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103923
PNG
(CHEMBL3593684)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccccc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCN(C)CC1
Show InChI InChI=1S/C36H39FN6O5/c1-24-34(41(3)36(45)43(24)26-9-6-5-7-10-26)35(44)39-25-11-12-31(28(37)21-25)48-30-13-14-38-29-23-33(32(46-4)22-27(29)30)47-20-8-15-42-18-16-40(2)17-19-42/h5-7,9-14,21-23H,8,15-20H2,1-4H3,(H,39,44)
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n/an/a 24n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103909
PNG
(CHEMBL3593889)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccc(OC(F)(F)F)cc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C38H39F4N5O6/c1-23-13-17-46(18-14-23)16-5-19-51-34-22-30-28(21-33(34)50-4)31(12-15-43-30)52-32-11-6-25(20-29(32)39)44-36(48)35-24(2)47(37(49)45(35)3)26-7-9-27(10-8-26)53-38(40,41)42/h6-12,15,20-23H,5,13-14,16-19H2,1-4H3,(H,44,48)
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n/an/a 25n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103905
PNG
(CHEMBL3594099)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5cccc(c5)C(F)(F)F)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C38H39F4N5O5/c1-23-12-16-46(17-13-23)15-6-18-51-34-22-30-28(21-33(34)50-4)31(11-14-43-30)52-32-10-9-26(20-29(32)39)44-36(48)35-24(2)47(37(49)45(35)3)27-8-5-7-25(19-27)38(40,41)42/h5,7-11,14,19-23H,6,12-13,15-18H2,1-4H3,(H,44,48)
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n/an/a 26n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103921
PNG
(CHEMBL3593688)
Show SMILES COc1ccc(cc1)-n1c(C)c(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCN(C)CC5)c(OC)cc34)c(F)c2)n(C)c1=O
Show InChI InChI=1S/C37H41FN6O6/c1-24-35(42(3)37(46)44(24)26-8-10-27(47-4)11-9-26)36(45)40-25-7-12-32(29(38)21-25)50-31-13-14-39-30-23-34(33(48-5)22-28(30)31)49-20-6-15-43-18-16-41(2)17-19-43/h7-14,21-23H,6,15-20H2,1-5H3,(H,40,45)
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n/an/a 27n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103924
PNG
(CHEMBL3593683)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccccc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C37H40FN5O5/c1-24-14-18-42(19-15-24)17-8-20-47-34-23-30-28(22-33(34)46-4)31(13-16-39-30)48-32-12-11-26(21-29(32)38)40-36(44)35-25(2)43(37(45)41(35)3)27-9-6-5-7-10-27/h5-7,9-13,16,21-24H,8,14-15,17-20H2,1-4H3,(H,40,44)
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n/an/a 29n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103925
PNG
(CHEMBL3593682)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccccc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C36H38FN5O5/c1-24-34(40(2)36(44)42(24)26-11-6-4-7-12-26)35(43)39-25-13-14-31(28(37)21-25)47-30-15-16-38-29-23-33(32(45-3)22-27(29)30)46-20-10-19-41-17-8-5-9-18-41/h4,6-7,11-16,21-23H,5,8-10,17-20H2,1-3H3,(H,39,43)
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n/an/a 31n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50103926
PNG
(CHEMBL3593680)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4c(C)n(-c5ccccc5)c(=O)n4C)cc3F)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H36FN5O6/c1-23-33(39(2)35(43)41(23)25-8-5-4-6-9-25)34(42)38-24-10-11-30(27(36)20-24)47-29-12-13-37-28-22-32(31(44-3)21-26(28)29)46-17-7-14-40-15-18-45-19-16-40/h4-6,8-13,20-22H,7,14-19H2,1-3H3,(H,38,42)
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n/an/a 36n/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


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50103899
PNG
(CHEMBL3594105)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C35H36ClFN6O5/c1-22-33(40-35(45)43(22)28-8-5-4-7-25(28)36)34(44)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(46-3)20-24(27)29)47-18-6-13-42-16-14-41(2)15-17-42/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,44)(H,40,45)
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n/an/a 38n/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 poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50103899
PNG
(CHEMBL3594105)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C35H36ClFN6O5/c1-22-33(40-35(45)43(22)28-8-5-4-7-25(28)36)34(44)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(46-3)20-24(27)29)47-18-6-13-42-16-14-41(2)15-17-42/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,44)(H,40,45)
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n/an/a 93n/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 VEGFR-2 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50103899
PNG
(CHEMBL3594105)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C35H36ClFN6O5/c1-22-33(40-35(45)43(22)28-8-5-4-7-25(28)36)34(44)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(46-3)20-24(27)29)47-18-6-13-42-16-14-41(2)15-17-42/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,44)(H,40,45)
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n/an/a 134n/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 FLT-3 (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50103899
PNG
(CHEMBL3594105)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C35H36ClFN6O5/c1-22-33(40-35(45)43(22)28-8-5-4-7-25(28)36)34(44)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(46-3)20-24(27)29)47-18-6-13-42-16-14-41(2)15-17-42/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,44)(H,40,45)
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n/an/a 270n/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 after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Epidermal 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 2.99E+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 EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50103899
PNG
(CHEMBL3594105)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4[nH]c(=O)n(c4C)-c4ccccc4Cl)cc3F)ccnc2cc1OCCCN1CCN(C)CC1 |(3.99,-2.77,;3.99,-1.54,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-1.33,-3.08,;-2.66,-3.85,;-3.99,-3.09,;-5.32,-3.86,;-5.32,-5.4,;-6.65,-6.18,;-6.64,-7.72,;-5.58,-8.33,;-7.98,-8.49,;-9.36,-7.86,;-10.39,-9.01,;-11.62,-8.88,;-9.62,-10.34,;-8.11,-10.02,;-7.19,-10.83,;-10.24,-11.75,;-9.24,-12.92,;-9.75,-14.37,;-11.27,-14.65,;-12.27,-13.48,;-11.75,-12.03,;-12.55,-11.09,;-3.98,-6.17,;-2.65,-5.39,;-1.58,-6.01,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;1.33,1.54,;2.66,.77,;3.99,1.54,;3.99,3.08,;5.33,3.86,;5.32,5.4,;6.66,6.17,;6.66,7.71,;7.99,8.48,;9.32,7.71,;10.39,8.33,;9.32,6.17,;7.99,5.4,)|
Show InChI InChI=1S/C35H36ClFN6O5/c1-22-33(40-35(45)43(22)28-8-5-4-7-25(28)36)34(44)39-23-9-10-30(26(37)19-23)48-29-11-12-38-27-21-32(31(46-3)20-24(27)29)47-18-6-13-42-16-14-41(2)15-17-42/h4-5,7-12,19-21H,6,13-18H2,1-3H3,(H,39,44)(H,40,45)
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n/an/a>1.00E+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 EGFR (unknown origin) using poly (Glu, Tyr) 4:1 as substrate after 30 mins by HTRF assay


Bioorg Med Chem 23: 4410-22 (2015)


Article DOI: 10.1016/j.bmc.2015.06.026
BindingDB Entry DOI: 10.7270/Q28G8NG3
More data for this
Ligand-Target Pair