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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
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ΔH°
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Ki
IC50
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EC50
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Compile Data Set for Download or QSAR
Found
13
hits Enz. Inhib. hit(s) with all data for entry = 50016062
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
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50591822
(CHEMBL5174718)
Show SMILES
COc1cccc(CNCc2c(C(O)=O)n(Cc3ccc(C)cc3)c3cc(ccc23)C(C)C)c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.46E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
14-3-3 protein eta
(Homo sapiens (Human))
BDBM50591815
(CHEMBL5207241)
Show SMILES
COc1ccc(Cn2c(C(O)=O)c(CNC(=O)c3cccc(OC)c3)c3ccc(C)cc23)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
5.60E+4
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
14-3-3 protein eta
(Homo sapiens (Human))
BDBM50591816
(CHEMBL5187971)
Show SMILES
COc1ccc(Cn2c(C(O)=O)c(CNCc3ccc(O)c(OC)c3)c3ccccc23)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.40E+5
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
14-3-3 protein eta
(Homo sapiens (Human))
BDBM50591817
(CHEMBL5193474)
Show SMILES
COc1ccc(Cn2c(C(O)=O)c(CNCc3ccc(O)c(OC)c3)c3ccc(C)cc23)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
>2.00E+5
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
14-3-3 protein eta
(Homo sapiens (Human))
BDBM50591818
(CHEMBL5193203)
Show SMILES
COc1ccc(Cn2c(C(O)=O)c(CNCc3cccc(O)c3)c3ccc(cc23)C(C)C)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
2.20E+4
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
14-3-3 protein eta
(Homo sapiens (Human))
BDBM50591819
(CHEMBL5207438)
Show SMILES
COc1cccc(CNCc2c(C(O)=O)n(Cc3ccc(F)cc3)c3ccccc23)c1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.60E+5
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
14-3-3 protein eta
(Homo sapiens (Human))
BDBM50591821
(CHEMBL5192836)
Show SMILES
COc1cccc(CNCc2c(C(O)=O)n(Cc3ccccc3)c3cc(ccc23)C(C)C)c1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
5.50E+4
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
14-3-3 protein eta
(Homo sapiens (Human))
BDBM50591822
(CHEMBL5174718)
Show SMILES
COc1cccc(CNCc2c(C(O)=O)n(Cc3ccc(C)cc3)c3cc(ccc23)C(C)C)c1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
3.50E+4
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
14-3-3 protein eta
(Homo sapiens (Human))
BDBM50591823
(CHEMBL5203713)
Show SMILES
COc1cccc(CNCc2c(C(O)=O)n(Cc3ccccc3F)c3cc(ccc23)C(C)C)c1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
3.70E+4
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
14-3-3 protein eta
(Homo sapiens (Human))
BDBM50591824
(CHEMBL5199296)
Show SMILES
COc1cccc(CNCc2c(C(O)=O)n(Cc3ccc(O)cc3)c3cc(ccc23)C(C)C)c1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
7.40E+4
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
14-3-3 protein eta
(Homo sapiens (Human))
BDBM50591825
(ARSENIC TRIOXIDE | Arsenic trioxide | Trisenox)
Show SMILES
O=[#33;v3]-[#8]-[#33;v3]=O
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
1.10E+5
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
14-3-3 protein eta
(Homo sapiens (Human))
BDBM50591814
(CHEMBL5173730)
Show SMILES
COc1ccc(Cn2c(C(O)=O)c(CN(C)Cc3cccc(OC)c3)c3ccc(C)cc23)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
>2.00E+5
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
14-3-3 protein eta
(Homo sapiens (Human))
BDBM50591820
(CHEMBL5187121)
Show SMILES
COc1cccc(CNCc2c(C(O)=O)n(Cc3ccccc3F)c3cc(C)ccc23)c1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
>2.00E+5
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114402
BindingDB Entry DOI:
10.7270/Q21N853X
More data for this
Ligand-Target Pair
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