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Target
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Compile Data Set for Download or QSAR
Found
4
hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor type 1A' and Ligand = 'BDBM50598930'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Melatonin receptor type 1A
(Homo sapiens (Human))
BDBM50598930
(CHEMBL5173623)
Show SMILES
COc1ccc2n(cc(CCNC(C)=O)c2c1)C(=O)OCc1ccccc1[N+]([O-])=O
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
2.30
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00717
BindingDB Entry DOI:
10.7270/Q2Z323P9
More data for this
Ligand-Target Pair
Melatonin receptor type 1A
(Homo sapiens (Human))
BDBM50598930
(CHEMBL5173623)
Show SMILES
COc1ccc2n(cc(CCNC(C)=O)c2c1)C(=O)OCc1ccccc1[N+]([O-])=O
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
148
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00717
BindingDB Entry DOI:
10.7270/Q2Z323P9
More data for this
Ligand-Target Pair
Melatonin receptor type 1A
(Homo sapiens (Human))
BDBM50598930
(CHEMBL5173623)
Show SMILES
COc1ccc2n(cc(CCNC(C)=O)c2c1)C(=O)OCc1ccccc1[N+]([O-])=O
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
0.617
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00717
BindingDB Entry DOI:
10.7270/Q2Z323P9
More data for this
Ligand-Target Pair
Melatonin receptor type 1A
(Homo sapiens (Human))
BDBM50598930
(CHEMBL5173623)
Show SMILES
COc1ccc2n(cc(CCNC(C)=O)c2c1)C(=O)OCc1ccccc1[N+]([O-])=O
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.30
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00717
BindingDB Entry DOI:
10.7270/Q2Z323P9
More data for this
Ligand-Target Pair
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