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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'M3 muscarinic receptor (M3'(3C)-Xa R176C)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
M3 muscarinic receptor (M3'(3C)-Xa R176C)


(Rattus norvegicus (Rat))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
9.00E+3n/an/an/an/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, membranes from COS-7 cells expressing different Cys-substituted mutant M3R constructs were first treated with CuPhen (100 μM; 10 min a...


J Biol Chem 288: 34777-90 (2013)


Article DOI: 10.1074/jbc.M113.503714
BindingDB Entry DOI: 10.7270/Q2JH3K1C
More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa R176C)


(Rattus norvegicus (Rat))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
2.20E+4n/an/an/an/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)


Article DOI: 10.1074/jbc.M113.503714
BindingDB Entry DOI: 10.7270/Q2JH3K1C
More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa R176C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12?,13-,14-,15+,16-,17+/m1/s1
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PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 0.484n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, binding reactions containing ~10 μg of membrane protein per tube were carried out for 2 h (22 C) in 1 ml of binding buffer containing...


J Biol Chem 288: 34777-90 (2013)


Article DOI: 10.1074/jbc.M113.503714
BindingDB Entry DOI: 10.7270/Q2JH3K1C
More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa R176C)


(Rattus norvegicus (Rat))
BDBM214800
PNG
(N-methylscopolamine (NMS))
Show SMILES C[N+]1(C)[C@H]2CC(C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1
Show InChI InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12?,13-,14-,15+,16-,17+/m1/s1
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 0.470n/an/an/an/an/a



National Institutes of Health



Assay Description
In brief, membranes from COS-7 cells expressing different Cys-substituted mutant M3R constructs were first treated with CuPhen (100 μM; 10 min a...


J Biol Chem 288: 34777-90 (2013)


Article DOI: 10.1074/jbc.M113.503714
BindingDB Entry DOI: 10.7270/Q2JH3K1C
More data for this
Ligand-Target Pair