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Target
Sequence
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&
Ki
IC50
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EC50
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 443
BDBM50596229
Wt: 443
BDBM50596230
Wt: 443
BDBM50596242
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
10
hits in this display
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
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human))
BDBM50596229
(CHEMBL5205163)
Show SMILES
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
12
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128479
BindingDB Entry DOI:
10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human))
BDBM50596229
(CHEMBL5205163)
Show SMILES
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
12
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128479
BindingDB Entry DOI:
10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human))
BDBM50596242
(CHEMBL5185664)
Show SMILES
Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC22CCN(CC3CCCCC3)CC2)nn1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
18
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128479
BindingDB Entry DOI:
10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human))
BDBM50596230
(CHEMBL5178468)
Show SMILES
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
28
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128479
BindingDB Entry DOI:
10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human))
BDBM50596230
(CHEMBL5178468)
Show SMILES
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
28
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128479
BindingDB Entry DOI:
10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4
(RAT)
BDBM50596229
(CHEMBL5205163)
Show SMILES
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
81
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128479
BindingDB Entry DOI:
10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4
(RAT)
BDBM50596229
(CHEMBL5205163)
Show SMILES
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
81
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128479
BindingDB Entry DOI:
10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4
(RAT)
BDBM50596242
(CHEMBL5185664)
Show SMILES
Fc1ccc(Cl)c(c1)-c1ccc(NCC2CC22CCN(CC3CCCCC3)CC2)nn1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
228
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128479
BindingDB Entry DOI:
10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4
(RAT)
BDBM50596230
(CHEMBL5178468)
Show SMILES
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
525
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128479
BindingDB Entry DOI:
10.7270/Q2F193SZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4
(RAT)
BDBM50596230
(CHEMBL5178468)
Show SMILES
Fc1ccc(Cl)c(c1)-c1ccc(NC[C@H]2CC22CCN(CC3CCCCC3)CC2)nn1 |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
530
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.128479
BindingDB Entry DOI:
10.7270/Q2F193SZ
More data for this
Ligand-Target Pair