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Target
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 520.0
BDBM50563360
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
5
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
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Temp
°C
ALK tyrosine kinase receptor
(Homo sapiens (Human))
BDBM50563360
(CHEMBL4748361)
Show SMILES
COc1cc(OCC2CCCO2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human N-terminal GST-tagged ALK G1202R mutant (1058 to 1620 residues) expressed in baculovirus expression system using Srct...
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113259
BindingDB Entry DOI:
10.7270/Q2S46WQK
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor
(Homo sapiens (Human))
BDBM50563360
(CHEMBL4748361)
Show SMILES
COc1cc(OCC2CCCO2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human N-terminal GST-tagged ALK (1058 to 1620 residues) expressed in baculovirus expression system using Srctide as substra...
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113259
BindingDB Entry DOI:
10.7270/Q2S46WQK
More data for this
Ligand-Target Pair
ALK tyrosine kinase receptor
(Homo sapiens (Human))
BDBM50563360
(CHEMBL4748361)
Show SMILES
COc1cc(OCC2CCCO2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.30
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human N-terminal GST-tagged ALK L1196M mutant (1058 to 1620 residues) expressed in baculovirus expression system using Srct...
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113259
BindingDB Entry DOI:
10.7270/Q2S46WQK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase ROS
(Homo sapiens (Human))
BDBM50563360
(CHEMBL4748361)
Show SMILES
COc1cc(OCC2CCCO2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.70
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human N-terminal GST-tagged ROS1 (1883 to 2347 residues) expressed in baculovirus expression system using IRS1 as substrate...
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113259
BindingDB Entry DOI:
10.7270/Q2S46WQK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM50563360
(CHEMBL4748361)
Show SMILES
COc1cc(OCC2CCCO2)ccc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human N-terminal GST-tagged EGFR (669 to 1210 residues) expressed in baculovirus expression system using Srctide as substra...
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113259
BindingDB Entry DOI:
10.7270/Q2S46WQK
More data for this
Ligand-Target Pair