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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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null
SMILES:
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccc4O)C3)c2cc1OC
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 = 50600056
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))
BDBM50600056
(CHEMBL5209283)
Show SMILES
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccc4O)C3)c2cc1OC
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
115
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.2022.114218
BindingDB Entry DOI:
10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7
(Homo sapiens (Human))
BDBM50600056
(CHEMBL5209283)
Show SMILES
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccc4O)C3)c2cc1OC
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
661
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.2022.114218
BindingDB Entry DOI:
10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50600056
(CHEMBL5209283)
Show SMILES
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccc4O)C3)c2cc1OC
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
2.24E+4
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114218
BindingDB Entry DOI:
10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human))
BDBM50600056
(CHEMBL5209283)
Show SMILES
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccc4O)C3)c2cc1OC
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
427
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114218
BindingDB Entry DOI:
10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human))
BDBM50600056
(CHEMBL5209283)
Show SMILES
COc1cc2ncnc(N3CCC(CN4CCN(CC4)c4ccccc4O)C3)c2cc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
6.03E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114218
BindingDB Entry DOI:
10.7270/Q2TX3KDX
More data for this
Ligand-Target Pair
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