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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'challiss' and Initial = 'ra'   
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 F550C)


(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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PubMed
6.70E+3n/an/an/an/an/an/a7.4n/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 R179C)


(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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PubMed
8.20E+3n/an/an/an/an/an/a7.4n/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 F554C)


(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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PubMed
8.20E+3n/an/an/an/an/an/a7.4n/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))
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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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 T549C)


(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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1.26E+4n/an/an/an/an/an/a7.4n/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 T553C)


(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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PubMed
1.37E+4n/an/an/an/an/an/a7.4n/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 T552C)


(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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PubMed
1.46E+4n/an/an/an/an/an/a7.4n/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 K548C)


(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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1.70E+4n/an/an/an/an/an/a7.4n/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 T556C)


(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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1.82E+4n/an/an/an/an/an/a7.4n/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 K555C)


(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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PubMed
1.85E+4n/an/an/an/an/an/a7.4n/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 F550C)


(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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PubMed
1.93E+4n/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 R551C)


(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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PubMed
1.95E+4n/an/an/an/an/an/a7.4n/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 T553C)


(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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1.97E+4n/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 T180C)


(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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PubMed
2.04E+4n/an/an/an/an/an/a7.4n/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))
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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PubMed
2.20E+4n/an/an/an/an/an/a7.4n/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)


(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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2.38E+4n/an/an/an/an/an/a7.4n/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)


(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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PubMed
2.46E+4n/an/an/an/an/an/a7.4n/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 T180C)


(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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2.79E+4n/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 K178C)


(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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2.95E+4n/an/an/an/an/an/a7.4n/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)


(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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PubMed
3.32E+4n/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 A177C)


(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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PubMed
4.13E+4n/an/an/an/an/an/a7.4n/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 T556C)


(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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PubMed
4.13E+4n/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
Type 1 InsP3 receptor isoform S2


(Sus scrofa)
BDBM50040911
PNG
((+)-myo-inositol 1,4,5-trisphosphorothioate | (-)-...)
Show SMILES OC1C(O)C(OP([O-])([O-])=S)C(OP([O-])([O-])=S)C(O)C1OP([O-])([O-])=S
Show InChI InChI=1S/C6H15O12P3S3/c7-1-2(8)5(17-20(12,13)23)6(18-21(14,15)24)3(9)4(1)16-19(10,11)22/h1-9H,(H2,10,11,22)(H2,12,13,23)(H2,14,15,24)/p-6
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n/an/a 61n/an/an/an/a7.6n/a



Mayo Foundation

Curated by ChEMBL


Assay Description
Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 7.6 using [3H]Ins(1,4,5)P3 as the radioligand.


J Med Chem 37: 868-72 (1994)


Article DOI: 10.1021/jm00032a022
BindingDB Entry DOI: 10.7270/Q2BG2PN3
More data for this
Ligand-Target Pair
Type 1 InsP3 receptor isoform S2


(Sus scrofa)
BDBM50040911
PNG
((+)-myo-inositol 1,4,5-trisphosphorothioate | (-)-...)
Show SMILES OC1C(O)C(OP([O-])([O-])=S)C(OP([O-])([O-])=S)C(O)C1OP([O-])([O-])=S
Show InChI InChI=1S/C6H15O12P3S3/c7-1-2(8)5(17-20(12,13)23)6(18-21(14,15)24)3(9)4(1)16-19(10,11)22/h1-9H,(H2,10,11,22)(H2,12,13,23)(H2,14,15,24)/p-6
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n/an/a 78n/an/an/an/a6.8n/a



Mayo Foundation

Curated by ChEMBL


Assay Description
Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 6.8 using [3H]Ins(1,4,5)P3 as the radioligand.


J Med Chem 37: 868-72 (1994)


Article DOI: 10.1021/jm00032a022
BindingDB Entry DOI: 10.7270/Q2BG2PN3
More data for this
Ligand-Target Pair
Type 1 InsP3 receptor isoform S2


(Sus scrofa)
BDBM50040909
PNG
(D-3-amino-3-deoxy-myo-inositol 1,4,5-trisphosphoro...)
Show SMILES NC1C(O)C(OP([O-])([O-])=O)C(O)C(OP([O-])([O-])=O)C1OP([O-])([O-])=O
Show InChI InChI=1S/C6H16NO14P3/c7-1-2(8)5(20-23(13,14)15)3(9)6(21-24(16,17)18)4(1)19-22(10,11)12/h1-6,8-9H,7H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6
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n/an/a 5.65E+3n/an/an/an/a7.6n/a



Mayo Foundation

Curated by ChEMBL


Assay Description
Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 7.6 using [3H]Ins(1,4,5)P3 as the radioligand.


J Med Chem 37: 868-72 (1994)


Article DOI: 10.1021/jm00032a022
BindingDB Entry DOI: 10.7270/Q2BG2PN3
More data for this
Ligand-Target Pair
Type 1 InsP3 receptor isoform S2


(Sus scrofa)
BDBM50040909
PNG
(D-3-amino-3-deoxy-myo-inositol 1,4,5-trisphosphoro...)
Show SMILES NC1C(O)C(OP([O-])([O-])=O)C(O)C(OP([O-])([O-])=O)C1OP([O-])([O-])=O
Show InChI InChI=1S/C6H16NO14P3/c7-1-2(8)5(20-23(13,14)15)3(9)6(21-24(16,17)18)4(1)19-22(10,11)12/h1-6,8-9H,7H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6
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n/an/a 9.11E+3n/an/an/an/a6.8n/a



Mayo Foundation

Curated by ChEMBL


Assay Description
Binding affinity against IP3 receptor in pig cerebellar membranes at a pH of 6.8 using [3H]Ins(1,4,5)P3 as the radioligand.


J Med Chem 37: 868-72 (1994)


Article DOI: 10.1021/jm00032a022
BindingDB Entry DOI: 10.7270/Q2BG2PN3
More data for this
Ligand-Target Pair
M3 muscarinic receptor (M3'(3C)-Xa T180C)


(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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n/an/an/a 1.11n/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 F550C)


(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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n/an/an/a 1.15n/an/an/an/an/a



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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 T553C)


(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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n/an/an/a 1.02n/an/an/an/an/a



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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 T556C)


(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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n/an/an/a 0.640n/an/an/an/an/a



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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 F550C)


(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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n/an/an/a 0.556n/an/an/a7.4n/a



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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 T549C)


(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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n/an/an/a 0.564n/an/an/a7.4n/a



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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 K548C)


(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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n/an/an/a 0.555n/an/an/a7.4n/a



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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)


(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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n/an/an/a 0.555n/an/an/a7.4n/a



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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)


(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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n/an/an/a 0.403n/an/an/a7.4n/a



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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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n/an/an/a 0.484n/an/an/a7.4n/a



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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 A177C)


(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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n/an/an/a 0.521n/an/an/a7.4n/a



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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 K178C)


(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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n/an/an/a 0.499n/an/an/a7.4n/a



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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 R179C)


(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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n/an/an/a 0.493n/an/an/a7.4n/a



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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 T180C)


(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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n/an/an/a 0.751n/an/an/a7.4n/a



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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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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)


(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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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 R551C)


(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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PDB
UniChem
Article
PubMed
n/an/an/a 0.524n/an/an/a7.4n/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 T552C)


(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 0.438n/an/an/a7.4n/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 T553C)


(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 0.548n/an/an/a7.4n/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 T556C)


(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 0.462n/an/an/a7.4n/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 K555C)


(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 0.553n/an/an/a7.4n/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 F554C)


(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
Purchase

PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 0.583n/an/an/a7.4n/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