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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: 542.4
BDBM50590229
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
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human))
BDBM50590229
(CHEMBL5197547)
Show SMILES
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.700
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00097g
BindingDB Entry DOI:
10.7270/Q2WH2TZ3
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2
(Homo sapiens (Human))
BDBM50590229
(CHEMBL5197547)
Show SMILES
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
10
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00097g
BindingDB Entry DOI:
10.7270/Q2WH2TZ3
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2
(Homo sapiens (Human))
BDBM50590229
(CHEMBL5197547)
Show SMILES
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F |r|
Show InChI
PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
442
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00097g
BindingDB Entry DOI:
10.7270/Q2WH2TZ3
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human))
BDBM50590229
(CHEMBL5197547)
Show SMILES
CC(C)(O)[C@@H]1CCN(C1)c1cnc(c(NC(=O)c2cccc(n2)-c2cnn(CC(F)(F)F)c2)c1)C(F)(F)F |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1039/d1md00097g
BindingDB Entry DOI:
10.7270/Q2WH2TZ3
More data for this
Ligand-Target Pair