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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Substrate or Competitor
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/
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85%
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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:
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
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
14
hits for monomerid = 50568917
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 1A
(Homo sapiens (Human))
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
5
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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
5.10
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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
D(4) dopamine receptor
(Homo sapiens (Human))
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
10
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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
D(4) dopamine receptor
(Homo sapiens (Human))
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
10
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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7
(Homo sapiens (Human))
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
63
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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7
(Homo sapiens (Human))
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
63
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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
122
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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
123
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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
D(3) dopamine receptor
(Homo sapiens)
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
407
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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
D(3) dopamine receptor
(Homo sapiens)
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
407
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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C
(Homo sapiens)
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.68E+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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C
(Homo sapiens)
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.70E+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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
D(2) dopamine receptor
(Homo sapiens (Human))
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
4.47E+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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
D(2) dopamine receptor
(Homo sapiens (Human))
BDBM50568917
(CHEMBL4876297)
Show SMILES
Clc1ccc2CC(CCN3CCN(CC3)c3ccccn3)C(=O)c2c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
4.51E+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.2021.113243
BindingDB Entry DOI:
10.7270/Q29C726C
More data for this
Ligand-Target Pair
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