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Target
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 406.4
BDBM50549893
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
4
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 M1
(Homo sapiens (Human))
BDBM50549893
(CHEMBL4757103)
Show SMILES
C[C@@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C |r|
Show InChI
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
6.30
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Antagonist activity at human recombinant muscarinic receptor M1 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00626
BindingDB Entry DOI:
10.7270/Q2445R41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4
(Homo sapiens (Human))
BDBM50549893
(CHEMBL4757103)
Show SMILES
C[C@@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
40
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Antagonist activity at human recombinant muscarinic receptor M4 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00626
BindingDB Entry DOI:
10.7270/Q2445R41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human))
BDBM50549893
(CHEMBL4757103)
Show SMILES
C[C@@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
501
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Antagonist activity at human recombinant muscarinic receptor M3 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00626
BindingDB Entry DOI:
10.7270/Q2445R41
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2
(Homo sapiens (Human))
BDBM50549893
(CHEMBL4757103)
Show SMILES
C[C@@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
631
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Antagonist activity at human recombinant muscarinic receptor M2 expressed in CHO-K1 cells assessed as EC80 acetylcholine-induced calcium flux incubat...
Citation and Details
Article DOI:
10.1021/acsmedchemlett.0c00626
BindingDB Entry DOI:
10.7270/Q2445R41
More data for this
Ligand-Target Pair