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Target
Sequence
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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null
SMILES:
COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C
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
4
hits for monomerid = 50564011
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
Sodium- and chloride-dependent GABA transporter 1
(Rattus norvegicus)
BDBM50564011
(CHEMBL4779064)
Show SMILES
COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
6.46E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of mouse GTA 1 receptor
Citation and Details
Article DOI:
10.1016/j.ejmech.2019.111920
BindingDB Entry DOI:
10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 3
(Mus musculus)
BDBM50564011
(CHEMBL4779064)
Show SMILES
COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r|
Show InChI
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.66E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of mouse GTA4 receptor
Citation and Details
Article DOI:
10.1016/j.ejmech.2019.111920
BindingDB Entry DOI:
10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2
(Mus musculus)
BDBM50564011
(CHEMBL4779064)
Show SMILES
COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.41E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of mouse GTA 3 receptor
Citation and Details
Article DOI:
10.1016/j.ejmech.2019.111920
BindingDB Entry DOI:
10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent GABA transporter 2
(Mus musculus)
BDBM50564011
(CHEMBL4779064)
Show SMILES
COc1ccc(cc1)C(OCCN1CCC[C@H](C1)C(O)=O)(c1ccc(OC)cc1)c1ccc(OC)cc1C |r|
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7.59E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of mouse GTA 2 receptor
Citation and Details
Article DOI:
10.1016/j.ejmech.2019.111920
BindingDB Entry DOI:
10.7270/Q2FJ2MJJ
More data for this
Ligand-Target Pair
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