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Target
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 606.6
BDBM633981
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
4
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
pH
Temp
°C
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human))
BDBM633981
(US11807649, Compound 56 | US11807649, Compound S55...)
Show SMILES
CN(C)C\C=C\C(=O)N1CCCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r|
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
304
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human))
BDBM633981
(US11807649, Compound 56 | US11807649, Compound S55...)
Show SMILES
CN(C)C\C=C\C(=O)N1CCCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r|
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
304
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM633981
(US11807649, Compound 56 | US11807649, Compound S55...)
Show SMILES
CN(C)C\C=C\C(=O)N1CCCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM633981
(US11807649, Compound 56 | US11807649, Compound S55...)
Show SMILES
CN(C)C\C=C\C(=O)N1CCCN2C[C@@H]1COc1cc3ncnc(Nc4ccc(Oc5ccn6ncnc6c5)c(C)c4)c3nc21 |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair