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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
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/
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85%
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Download
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Compile Data Set for Download or QSAR
Found
12
hits with Last Name = 'dal''ongaro rodrigues' and Initial = 'a'
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
Acetylcholinesterase
(Rattus norvegicus (rat))
BDBM50022775
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES
CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI
InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
70
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of AChE in rat brain Hippocampus
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128206
BindingDB Entry DOI:
10.7270/Q2G73JHV
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Rattus norvegicus (rat))
BDBM50571301
(CHEMBL4861510)
Show SMILES
[Cl-].C[N+](C)(C)[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
240
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of AChE in rat brain cortex
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128206
BindingDB Entry DOI:
10.7270/Q2G73JHV
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Rattus norvegicus (rat))
BDBM50571301
(CHEMBL4861510)
Show SMILES
[Cl-].C[N+](C)(C)[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
320
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of AChE in rat brain Hippocampus
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128206
BindingDB Entry DOI:
10.7270/Q2G73JHV
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Rattus norvegicus (rat))
BDBM50022775
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES
CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI
InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
650
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of AChE in rat brain cortex
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128206
BindingDB Entry DOI:
10.7270/Q2G73JHV
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Rattus norvegicus (rat))
BDBM50022775
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES
CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI
InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
3.17E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of AChE in rat brain Striatum
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128206
BindingDB Entry DOI:
10.7270/Q2G73JHV
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Rattus norvegicus (rat))
BDBM50571300
(CHEMBL4859777)
Show SMILES
[Cl-].C[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.86E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of AChE in rat brain Cerebellum
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128206
BindingDB Entry DOI:
10.7270/Q2G73JHV
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Rattus norvegicus (rat))
BDBM50571301
(CHEMBL4861510)
Show SMILES
[Cl-].C[N+](C)(C)[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.91E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of AChE in rat brain Cerebellum
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128206
BindingDB Entry DOI:
10.7270/Q2G73JHV
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Rattus norvegicus (rat))
BDBM50571301
(CHEMBL4861510)
Show SMILES
[Cl-].C[N+](C)(C)[C@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
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
Assay Description
Inhibition of AChE in rat brain Striatum
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128206
BindingDB Entry DOI:
10.7270/Q2G73JHV
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Rattus norvegicus (rat))
BDBM50022775
((m-Hydroxyphenyl)trimethylammonium dimethylcarbama...)
Show SMILES
CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Show InChI
InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
Article
PubMed
n/a
n/a
3.72E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of AChE in rat brain Cerebellum
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128206
BindingDB Entry DOI:
10.7270/Q2G73JHV
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Rattus norvegicus (rat))
BDBM50571300
(CHEMBL4859777)
Show SMILES
[Cl-].C[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+6
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of AChE in rat brain Hippocampus
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128206
BindingDB Entry DOI:
10.7270/Q2G73JHV
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Rattus norvegicus (rat))
BDBM50571300
(CHEMBL4859777)
Show SMILES
[Cl-].C[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+6
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of AChE in rat brain cortex
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128206
BindingDB Entry DOI:
10.7270/Q2G73JHV
More data for this
Ligand-Target Pair
Acetylcholinesterase
(Rattus norvegicus (rat))
BDBM50571300
(CHEMBL4859777)
Show SMILES
[Cl-].C[N+](C)(C)[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+6
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of AChE in rat brain Striatum
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128206
BindingDB Entry DOI:
10.7270/Q2G73JHV
More data for this
Ligand-Target Pair
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