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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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EC50
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null
SMILES:
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCOCC1)C#N
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
5
hits for monomerid = 50547322
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-dependent dopamine transporter
(Homo sapiens (Human))
BDBM50547322
(CHEMBL4745777)
Show SMILES
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCOCC1)C#N
Show InChI
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00432
BindingDB Entry DOI:
10.7270/Q2ZG6WTX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7
(Rattus norvegicus (Rat))
BDBM50547322
(CHEMBL4745777)
Show SMILES
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCOCC1)C#N
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.29E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00432
BindingDB Entry DOI:
10.7270/Q2ZG6WTX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7
(Rattus norvegicus (Rat))
BDBM50547322
(CHEMBL4745777)
Show SMILES
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCOCC1)C#N
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
708
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00432
BindingDB Entry DOI:
10.7270/Q2ZG6WTX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7
(Rattus norvegicus (Rat))
BDBM50547322
(CHEMBL4745777)
Show SMILES
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCOCC1)C#N
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.30E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00432
BindingDB Entry DOI:
10.7270/Q2ZG6WTX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7
(Rattus norvegicus (Rat))
BDBM50547322
(CHEMBL4745777)
Show SMILES
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCOCC1)C#N
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
710
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00432
BindingDB Entry DOI:
10.7270/Q2ZG6WTX
More data for this
Ligand-Target Pair
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