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PubMed code 23644189

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
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



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin)


Eur J Med Chem 64: 62-73 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.001
BindingDB Entry DOI: 10.7270/Q27082SZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50383191
PNG
(CHEMBL2031893)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC
Show InChI InChI=1S/C29H25FN4O5/c1-17-27(29(36)34(33(17)2)19-8-6-5-7-9-19)28(35)32-18-10-11-24(21(30)14-18)39-23-12-13-31-22-16-26(38-4)25(37-3)15-20(22)23/h5-16H,1-4H3,(H,32,35)
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n/an/a 1n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin)


Eur J Med Chem 64: 62-73 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.001
BindingDB Entry DOI: 10.7270/Q27082SZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 1.20n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


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


Eur J Med Chem 64: 62-73 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.001
BindingDB Entry DOI: 10.7270/Q27082SZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50435567
PNG
(CHEMBL2392959)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc(nc5ccccc45)-c4cccc(Cl)c4)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C40H36ClFN4O4/c1-48-38-24-31-35(25-39(38)49-20-8-19-46-17-5-2-6-18-46)43-16-15-36(31)50-37-14-13-28(22-32(37)42)44-40(47)30-23-34(26-9-7-10-27(41)21-26)45-33-12-4-3-11-29(30)33/h3-4,7,9-16,21-25H,2,5-6,8,17-20H2,1H3,(H,44,47)
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n/an/a 1.30n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


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


Eur J Med Chem 64: 62-73 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.001
BindingDB Entry DOI: 10.7270/Q27082SZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50435566
PNG
(CHEMBL2392819)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc(nc5ccc(F)cc45)-c4cccc(Cl)c4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C41H37ClF2N4O4/c1-25-12-16-48(17-13-25)15-4-18-51-40-24-36-32(23-39(40)50-2)37(11-14-45-36)52-38-10-8-29(21-33(38)44)46-41(49)31-22-35(26-5-3-6-27(42)19-26)47-34-9-7-28(43)20-30(31)34/h3,5-11,14,19-25H,4,12-13,15-18H2,1-2H3,(H,46,49)
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n/an/a 1.70n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


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


Eur J Med Chem 64: 62-73 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.001
BindingDB Entry DOI: 10.7270/Q27082SZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50435565
PNG
(CHEMBL2392958)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc(nc5ccccc45)-c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C40H36F2N4O4/c1-48-38-24-31-35(25-39(38)49-21-7-20-46-18-5-2-6-19-46)43-17-16-36(31)50-37-15-14-28(22-32(37)42)44-40(47)30-23-34(26-10-12-27(41)13-11-26)45-33-9-4-3-8-29(30)33/h3-4,8-17,22-25H,2,5-7,18-21H2,1H3,(H,44,47)
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n/an/a 2.60n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


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


Eur J Med Chem 64: 62-73 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.001
BindingDB Entry DOI: 10.7270/Q27082SZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50435564
PNG
(CHEMBL2392942)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc(nc5ccccc45)-c4ccccc4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C41H39FN4O4/c1-27-16-20-46(21-17-27)19-8-22-49-40-26-36-32(25-39(40)48-2)37(15-18-43-36)50-38-14-13-29(23-33(38)42)44-41(47)31-24-35(28-9-4-3-5-10-28)45-34-12-7-6-11-30(31)34/h3-7,9-15,18,23-27H,8,16-17,19-22H2,1-2H3,(H,44,47)
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n/an/a 2.70n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


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


Eur J Med Chem 64: 62-73 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.001
BindingDB Entry DOI: 10.7270/Q27082SZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50435563
PNG
(CHEMBL2392967)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc(nc5ccccc45)-c4cccc(Cl)c4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
Show InChI InChI=1S/C41H38ClFN4O4/c1-26-14-18-47(19-15-26)17-6-20-50-40-25-36-32(24-39(40)49-2)37(13-16-44-36)51-38-12-11-29(22-33(38)43)45-41(48)31-23-35(27-7-5-8-28(42)21-27)46-34-10-4-3-9-30(31)34/h3-5,7-13,16,21-26H,6,14-15,17-20H2,1-2H3,(H,45,48)
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n/an/a 3.10n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


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


Eur J Med Chem 64: 62-73 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.001
BindingDB Entry DOI: 10.7270/Q27082SZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50435562
PNG
(CHEMBL2392948)
Show SMILES COc1cc2c(Oc3ccc(NC(=O)c4cc(nc5ccc(F)cc45)-c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCCC1
Show InChI InChI=1S/C40H36F2N4O4/c1-48-38-24-31-35(25-39(38)49-20-8-19-46-17-6-3-7-18-46)43-16-15-36(31)50-37-14-12-28(22-32(37)42)44-40(47)30-23-34(26-9-4-2-5-10-26)45-33-13-11-27(41)21-29(30)33/h2,4-5,9-16,21-25H,3,6-8,17-20H2,1H3,(H,44,47)
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n/an/a 3.5n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


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


Eur J Med Chem 64: 62-73 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.001
BindingDB Entry DOI: 10.7270/Q27082SZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24751
PNG
(2-benzyl-5-[3-fluoro-4-({6-methoxy-7-[3-(morpholin...)
Show SMILES COc1cc2c(Oc3ccc(cc3F)-c3cnc(Cc4ccccc4)n(C)c3=O)ccnc2cc1OCCCN1CCOCC1
Show InChI InChI=1S/C35H35FN4O5/c1-39-34(19-24-7-4-3-5-8-24)38-23-27(35(39)41)25-9-10-31(28(36)20-25)45-30-11-12-37-29-22-33(32(42-2)21-26(29)30)44-16-6-13-40-14-17-43-18-15-40/h3-5,7-12,20-23H,6,13-19H2,1-2H3
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n/an/a 8.90n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin)


Eur J Med Chem 64: 62-73 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.001
BindingDB Entry DOI: 10.7270/Q27082SZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50248510
PNG
(CHEMBL489326 | N-(4-(6,7-dimethoxyquinolin-4-yloxy...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2cc1OC
Show InChI InChI=1S/C28H23F2N3O5/c1-36-24-14-19-21(15-25(24)37-2)31-12-9-22(19)38-23-8-7-18(13-20(23)30)33-27(35)28(10-11-28)26(34)32-17-5-3-16(29)4-6-17/h3-9,12-15H,10-11H2,1-2H3,(H,32,34)(H,33,35)
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n/an/a 21n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin)


Eur J Med Chem 64: 62-73 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.001
BindingDB Entry DOI: 10.7270/Q27082SZ
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24485
PNG
(3-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2cc1OC
Show InChI InChI=1S/C26H22FN3O4S/c1-32-23-14-18-20(15-24(23)33-2)28-11-10-21(18)34-22-9-8-17(13-19(22)27)29-26(35)30-25(31)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H2,29,30,31,35)
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n/an/a 80n/an/an/an/an/an/a



Shenyang Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin)


Eur J Med Chem 64: 62-73 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.001
BindingDB Entry DOI: 10.7270/Q27082SZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%