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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: 418.5
BDBM50565686
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
Alpha-2A adrenergic receptor
(Homo sapiens (Human))
BDBM50565686
(CHEMBL4787874)
Show SMILES
C[C@@H](NC(=S)Nc1sc2COCCc2c1C(=O)OC(C)(C)C)c1ccccc1 |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of alpha 2a-adrenergic receptor (unknown origin) by radioligand binding assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112387
BindingDB Entry DOI:
10.7270/Q25M69GN
More data for this
Ligand-Target Pair
Translocator protein
(Homo sapiens (Human))
BDBM50565686
(CHEMBL4787874)
Show SMILES
C[C@@H](NC(=S)Nc1sc2COCCc2c1C(=O)OC(C)(C)C)c1ccccc1 |r|
Show InChI
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of PBR (unknown origin) by radioligand binding assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112387
BindingDB Entry DOI:
10.7270/Q25M69GN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2
(Homo sapiens (Human))
BDBM50565686
(CHEMBL4787874)
Show SMILES
C[C@@H](NC(=S)Nc1sc2COCCc2c1C(=O)OC(C)(C)C)c1ccccc1 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.60E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Antagonist activity at CXCR2 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112387
BindingDB Entry DOI:
10.7270/Q25M69GN
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4
(Homo sapiens (Human))
BDBM50565686
(CHEMBL4787874)
Show SMILES
C[C@@H](NC(=S)Nc1sc2COCCc2c1C(=O)OC(C)(C)C)c1ccccc1 |r|
Show InChI
PDB
UniProtKB/SwissProt
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
Assay Description
Antagonist activity at CXCR4 (unknown origin) expressed in U2OS cells cotransfected with beta-arrestin/TEV protease fusion protein and beta-lactamase...
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112387
BindingDB Entry DOI:
10.7270/Q25M69GN
More data for this
Ligand-Target Pair