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PDB code 3EFK

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24768
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H22F2N4O4/c1-34-27(35)20(15-32-28(34)33-18-7-5-17(29)6-8-18)16-4-9-24(21(30)12-16)38-23-10-11-31-22-14-26(37-3)25(36-2)13-19(22)23/h4-15H,1-3H3,(H,32,33)
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14 -44.4n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)

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

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24768
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H22F2N4O4/c1-34-27(35)20(15-32-28(34)33-18-7-5-17(29)6-8-18)16-4-9-24(21(30)12-16)38-23-10-11-31-22-14-26(37-3)25(36-2)13-19(22)23/h4-15H,1-3H3,(H,32,33)
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n/an/a 14n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human c-MET


Eur J Med Chem 46: 3675-80 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Similar Ligands in BindingDB*

Found 6 hits Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
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

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24768
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H22F2N4O4/c1-34-27(35)20(15-32-28(34)33-18-7-5-17(29)6-8-18)16-4-9-24(21(30)12-16)38-23-10-11-31-22-14-26(37-3)25(36-2)13-19(22)23/h4-15H,1-3H3,(H,32,33)
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Article
PubMed
14 -44.4n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)

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

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24766
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccccc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H23FN4O4/c1-33-27(34)20(16-31-28(33)32-18-7-5-4-6-8-18)17-9-10-24(21(29)13-17)37-23-11-12-30-22-15-26(36-3)25(35-2)14-19(22)23/h4-16H,1-3H3,(H,31,32)
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Article
PubMed
14n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-met-mediated gastrin phosphorylation by HTRF assay


J Med Chem 55: 1858-67 (2012)

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

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24766
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccccc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H23FN4O4/c1-33-27(34)20(16-31-28(33)32-18-7-5-4-6-8-18)17-9-10-24(21(29)13-17)37-23-11-12-30-22-15-26(36-3)25(35-2)14-19(22)23/h4-16H,1-3H3,(H,31,32)
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KEGG

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Article
PubMed
63 -40.7n/an/an/an/an/a7.522



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 5766-79 (2008)

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

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24768
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccc(F)cc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H22F2N4O4/c1-34-27(35)20(15-32-28(34)33-18-7-5-17(29)6-8-18)16-4-9-24(21(30)12-16)38-23-10-11-31-22-14-26(37-3)25(36-2)13-19(22)23/h4-15H,1-3H3,(H,32,33)
PDB
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KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human c-MET


Eur J Med Chem 46: 3675-80 (2011)

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

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24766
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccccc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H23FN4O4/c1-33-27(34)20(16-31-28(33)32-18-7-5-4-6-8-18)17-9-10-24(21(29)13-17)37-23-11-12-30-22-15-26(36-3)25(35-2)14-19(22)23/h4-16H,1-3H3,(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

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AffyNet 
Article
PubMed
n/an/a 63n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human c-MET


Eur J Med Chem 46: 3675-80 (2011)

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

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24766
PNG
(5-{4-[(6,7-dimethoxyquinolin-4-yl)oxy]-3-fluorophe...)
Show SMILES COc1cc2nccc(Oc3ccc(cc3F)-c3cnc(Nc4ccccc4)n(C)c3=O)c2cc1OC
Show InChI InChI=1S/C28H23FN4O4/c1-33-27(34)20(16-31-28(33)32-18-7-5-4-6-8-18)17-9-10-24(21(29)13-17)37-23-11-12-30-22-15-26(36-3)25(35-2)14-19(22)23/h4-16H,1-3H3,(H,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 204n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of HGF-mediated c-met autophosphorylation in serum-starved human PC3 cells after 1 hr by electrochemiluminescent immunoassay


J Med Chem 55: 1858-67 (2012)

More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output