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Target
Sequence
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&
Ki
IC50
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EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Target Names &
Ki
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Deposition
Contribute data
Sent Comments
null
SMILES:
CCCCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
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 = 50569817
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
5-hydroxytryptamine receptor 6
(Homo sapiens (Human))
BDBM50569817
(CHEMBL4873127)
Show SMILES
CCCCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
73
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112529
BindingDB Entry DOI:
10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6
(Homo sapiens (Human))
BDBM50569817
(CHEMBL4873127)
Show SMILES
CCCCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
470
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112529
BindingDB Entry DOI:
10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
D(2) dopamine receptor
(Homo sapiens (Human))
BDBM50569817
(CHEMBL4873127)
Show SMILES
CCCCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
506
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112529
BindingDB Entry DOI:
10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7
(Homo sapiens (Human))
BDBM50569817
(CHEMBL4873127)
Show SMILES
CCCCC(Oc1cccc(Cl)c1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
5.27E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112529
BindingDB Entry DOI:
10.7270/Q2S46WR1
More data for this
Ligand-Target Pair
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