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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
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PDB
85%
100%
Seq ID
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Deposition
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Sent Comments
null
SMILES:
C(Oc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1
InChI Key:
Find this compound or compounds like it in BindingDB or PDB:
Substructure
Similarity at least:
must be >=0.5
Exact match
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found
6
hits for monomerid = 50602926
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM50602926
(CHEMBL5200160 | US11814388, Compound 9)
Show SMILES
C(Oc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
87
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 [L858R]
(Homo sapiens (Human))
BDBM50602926
(CHEMBL5200160 | US11814388, Compound 9)
Show SMILES
C(Oc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
680
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Tau-tubulin kinase 2
(Homo sapiens (Human))
BDBM50602926
(CHEMBL5200160 | US11814388, Compound 9)
Show SMILES
C(Oc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.21E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI:
10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Aurora kinase B
(Homo sapiens (Human))
BDBM50602926
(CHEMBL5200160 | US11814388, Compound 9)
Show SMILES
C(Oc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
9.80E+3
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Tau-tubulin kinase 1
(Homo sapiens (Human))
BDBM50602926
(CHEMBL5200160 | US11814388, Compound 9)
Show SMILES
C(Oc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
750
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01942
BindingDB Entry DOI:
10.7270/Q2R215GV
More data for this
Ligand-Target Pair
Aurora kinase A
(Homo sapiens)
BDBM50602926
(CHEMBL5200160 | US11814388, Compound 9)
Show SMILES
C(Oc1ccc(Nc2ncnc3[nH]ccc23)cc1)c1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
n/a
>3.00E+4
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
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