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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
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Seq ID
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Enter Data
Deposition
Contribute data
Sent Comments
null
SMILES:
COc1cc2CC(Cc3cccnc3)C(=O)c2cc1OCCN1CCCCC1
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
10
hits for monomerid = 50598481
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
Acetylcholinesterase
(Electrophorus electricus (Electric eel))
BDBM50598481
(CHEMBL5193506)
Show SMILES
COc1cc2CC(Cc3cccnc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
280
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114503
BindingDB Entry DOI:
10.7270/Q2K0789W
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human))
BDBM50598481
(CHEMBL5193506)
Show SMILES
COc1cc2CC(Cc3cccnc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.88E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114503
BindingDB Entry DOI:
10.7270/Q2K0789W
More data for this
Ligand-Target Pair
Cholinesterase
(Equus caballus (Horse))
BDBM50598481
(CHEMBL5193506)
Show SMILES
COc1cc2CC(Cc3cccnc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.69E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114503
BindingDB Entry DOI:
10.7270/Q2K0789W
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A
(Homo sapiens (Human))
BDBM50598481
(CHEMBL5193506)
Show SMILES
COc1cc2CC(Cc3cccnc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114503
BindingDB Entry DOI:
10.7270/Q2K0789W
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human))
BDBM50598481
(CHEMBL5193506)
Show SMILES
COc1cc2CC(Cc3cccnc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114503
BindingDB Entry DOI:
10.7270/Q2K0789W
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B
(Homo sapiens (Human))
BDBM50598481
(CHEMBL5193506)
Show SMILES
COc1cc2CC(Cc3cccnc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114503
BindingDB Entry DOI:
10.7270/Q2K0789W
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human))
BDBM50598481
(CHEMBL5193506)
Show SMILES
COc1cc2CC(Cc3cccnc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114503
BindingDB Entry DOI:
10.7270/Q2K0789W
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A
(Homo sapiens (Human))
BDBM50598481
(CHEMBL5193506)
Show SMILES
COc1cc2CC(Cc3cccnc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114503
BindingDB Entry DOI:
10.7270/Q2K0789W
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human))
BDBM50598481
(CHEMBL5193506)
Show SMILES
COc1cc2CC(Cc3cccnc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114503
BindingDB Entry DOI:
10.7270/Q2K0789W
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human))
BDBM50598481
(CHEMBL5193506)
Show SMILES
COc1cc2CC(Cc3cccnc3)C(=O)c2cc1OCCN1CCCCC1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114503
BindingDB Entry DOI:
10.7270/Q2K0789W
More data for this
Ligand-Target Pair
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