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PDB code 3CD8

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 5 hits 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

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24470
PNG
(7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-a]pyrid...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
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n/an/a 9n/an/an/an/a7.422



Amgen



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


J Med Chem 51: 2879-82 (2008)


Article DOI: 10.1021/jm800043g
BindingDB Entry DOI: 10.7270/Q29P2ZZ6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24470
PNG
(7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-a]pyrid...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant c-Met kinase domain (unknown origin) incubated for 30 mins using gastrin peptide substrate by HTRF assay


J Med Chem 58: 2417-30 (2015)


Article DOI: 10.1021/jm501913a
BindingDB Entry DOI: 10.7270/Q2MP5502
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24470
PNG
(7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-a]pyrid...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
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n/an/a 9n/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)


Article DOI: 10.1016/j.ejmech.2011.05.031
BindingDB Entry DOI: 10.7270/Q2891676
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24470
PNG
(7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-a]pyrid...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Met by HTRF assay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor

  (304/305 > 99%)
(Homo sapiens (Human))
BDBM24470
PNG
(7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-a]pyrid...)
Show SMILES COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
Show InChI InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
PDB
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KEGG

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PC cid
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Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of HGF-mediated human c-Met autophosphorylation expressed in human PC3 cells after 1 hr by electrochemiluminescent immunoassay


Bioorg Med Chem Lett 19: 6307-12 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.096
BindingDB Entry DOI: 10.7270/Q2DV1JZH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

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