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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 6293   
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)
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 1.89n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM120816
PNG
((Z)-4-(((3-fluoro-4-((6-methoxy-7-(3-morpholinopro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H33F4N5O5/c1-22-25(34(45)44(42-22)29-7-4-3-6-26(29)35(37,38)39)21-41-23-8-9-31(27(36)18-23)49-30-10-11-40-28-20-33(32(46-2)19-24(28)30)48-15-5-12-43-13-16-47-17-14-43/h3-4,6-11,18-21,42H,5,12-17H2,1-2H3/b41-21+
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n/an/a 2.20n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Proto-oncogene c-Kit (c-Kit)


(Homo sapiens (Human))
BDBM120816
PNG
((Z)-4-(((3-fluoro-4-((6-methoxy-7-(3-morpholinopro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H33F4N5O5/c1-22-25(34(45)44(42-22)29-7-4-3-6-26(29)35(37,38)39)21-41-23-8-9-31(27(36)18-23)49-30-10-11-40-28-20-33(32(46-2)19-24(28)30)48-15-5-12-43-13-16-47-17-14-43/h3-4,6-11,18-21,42H,5,12-17H2,1-2H3/b41-21+
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n/an/a 2.30n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM120818
PNG
((E)-5-(((3-fluoro-4-((6-methoxy-7-(3-(pyrrolidin-1...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(O)n(-c4ccccc4C(F)(F)F)c(=O)n3C)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C35H33F4N5O5/c1-42-28(33(45)44(34(42)46)27-9-4-3-8-24(27)35(37,38)39)21-41-22-10-11-30(25(36)18-22)49-29-12-13-40-26-20-32(31(47-2)19-23(26)29)48-17-7-16-43-14-5-6-15-43/h3-4,8-13,18-21,45H,5-7,14-17H2,1-2H3
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n/an/a 2.75n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
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 3.52n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Macrophage-stimulating protein receptor


(Homo sapiens (Human))
BDBM120816
PNG
((Z)-4-(((3-fluoro-4-((6-methoxy-7-(3-morpholinopro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H33F4N5O5/c1-22-25(34(45)44(42-22)29-7-4-3-6-26(29)35(37,38)39)21-41-23-8-9-31(27(36)18-23)49-30-10-11-40-28-20-33(32(46-2)19-24(28)30)48-15-5-12-43-13-16-47-17-14-43/h3-4,6-11,18-21,42H,5,12-17H2,1-2H3/b41-21+
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n/an/a 4.24n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50399540
PNG
(FORETINIB)
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 4.86n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM120815
PNG
((Z)-4-(((3-fluoro-4-((6-methoxy-7-(3-(pyrrolidin-1...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C35H33F4N5O4/c1-22-25(34(45)44(42-22)29-9-4-3-8-26(29)35(37,38)39)21-41-23-10-11-31(27(36)18-23)48-30-12-13-40-28-20-33(32(46-2)19-24(28)30)47-17-7-16-43-14-5-6-15-43/h3-4,8-13,18-21,42H,5-7,14-17H2,1-2H3/b41-21+
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n/an/a 5.04n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
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 5.61n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM120817
PNG
((Z)-4-(((3-fluoro-4-((6-methoxy-7-(3-(piperidin-1-...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C36H35F4N5O4/c1-23-26(35(46)45(43-23)30-10-5-4-9-27(30)36(38,39)40)22-42-24-11-12-32(28(37)19-24)49-31-13-14-41-29-21-34(33(47-2)20-25(29)31)48-18-8-17-44-15-6-3-7-16-44/h4-5,9-14,19-22,43H,3,6-8,15-18H2,1-2H3/b42-22+
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n/an/a 6.63n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Proto-oncogene c-Kit (c-Kit)


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
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 6.72n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha (PDGFRα)


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
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 6.78n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM50399540
PNG
(FORETINIB)
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 6.89n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM120816
PNG
((Z)-4-(((3-fluoro-4-((6-methoxy-7-(3-morpholinopro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H33F4N5O5/c1-22-25(34(45)44(42-22)29-7-4-3-6-26(29)35(37,38)39)21-41-23-8-9-31(27(36)18-23)49-30-10-11-40-28-20-33(32(46-2)19-24(28)30)48-15-5-12-43-13-16-47-17-14-43/h3-4,6-11,18-21,42H,5,12-17H2,1-2H3/b41-21+
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n/an/a 8.38n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM120816
PNG
((Z)-4-(((3-fluoro-4-((6-methoxy-7-(3-morpholinopro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H33F4N5O5/c1-22-25(34(45)44(42-22)29-7-4-3-6-26(29)35(37,38)39)21-41-23-8-9-31(27(36)18-23)49-30-10-11-40-28-20-33(32(46-2)19-24(28)30)48-15-5-12-43-13-16-47-17-14-43/h3-4,6-11,18-21,42H,5,12-17H2,1-2H3/b41-21+
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n/an/a 8.56n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM120819
PNG
((E)-5-(((3-fluoro-4-((6-methoxy-7-(3-morpholinopro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(O)n(-c4ccccc4F)c(=O)n3C)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C34H33F2N5O6/c1-39-28(33(42)41(34(39)43)27-7-4-3-6-24(27)35)21-38-22-8-9-30(25(36)18-22)47-29-10-11-37-26-20-32(31(44-2)19-23(26)29)46-15-5-12-40-13-16-45-17-14-40/h3-4,6-11,18-21,42H,5,12-17H2,1-2H3
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n/an/a 8.78n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha (PDGFRα)


(Homo sapiens (Human))
BDBM120816
PNG
((Z)-4-(((3-fluoro-4-((6-methoxy-7-(3-morpholinopro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H33F4N5O5/c1-22-25(34(45)44(42-22)29-7-4-3-6-26(29)35(37,38)39)21-41-23-8-9-31(27(36)18-23)49-30-10-11-40-28-20-33(32(46-2)19-24(28)30)48-15-5-12-43-13-16-47-17-14-43/h3-4,6-11,18-21,42H,5,12-17H2,1-2H3/b41-21+
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n/an/a 32.2n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM120816
PNG
((Z)-4-(((3-fluoro-4-((6-methoxy-7-(3-morpholinopro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H33F4N5O5/c1-22-25(34(45)44(42-22)29-7-4-3-6-26(29)35(37,38)39)21-41-23-8-9-31(27(36)18-23)49-30-10-11-40-28-20-33(32(46-2)19-24(28)30)48-15-5-12-43-13-16-47-17-14-43/h3-4,6-11,18-21,42H,5,12-17H2,1-2H3/b41-21+
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n/an/a 326n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM50399540
PNG
(FORETINIB)
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



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair
EGFR


(Homo sapiens (Human))
BDBM120816
PNG
((Z)-4-(((3-fluoro-4-((6-methoxy-7-(3-morpholinopro...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)N=Cc3c(C)[nH]n(-c4ccccc4C(F)(F)F)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H33F4N5O5/c1-22-25(34(45)44(42-22)29-7-4-3-6-26(29)35(37,38)39)21-41-23-8-9-31(27(36)18-23)49-30-10-11-40-28-20-33(32(46-2)19-24(28)30)48-15-5-12-43-13-16-47-17-14-43/h3-4,6-11,18-21,42H,5,12-17H2,1-2H3/b41-21+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Shenyang Pharmaceutical University, Ministry of Education



Assay Description
The c-Met kinase activity was evaluated by homogeneous time-resolved fluorescence (HTRF) assays. In a 384-well plate, 20 µg/mL (Glue, Tyr) 4:1 w...


Bioorg Chem 57: 30-42 (2014)

More data for this
Ligand-Target Pair