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PubMed code 1507212

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
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
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004728
PNG
(1-Methyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-ynyl)...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(N)=O
Show InChI InChI=1S/C11H19N3O/c1-10(13(2)11(12)15)6-5-9-14-7-3-4-8-14/h10H,3-4,7-9H2,1-2H3,(H2,12,15)
MMDB

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n/an/an/a 710n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004727
PNG
(1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CC(C#CCN1CCCC1)N1CCNC1=O
Show InChI InChI=1S/C12H19N3O/c1-11(15-10-6-13-12(15)16)5-4-9-14-7-2-3-8-14/h11H,2-3,6-10H2,1H3,(H,13,16)
MMDB

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n/an/an/a 480n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004725
PNG
(1,3-Dimethyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-y...)
Show SMILES CNC(=O)N(C)C(C)C#CCN1CCCC1
Show InChI InChI=1S/C12H21N3O/c1-11(14(3)12(16)13-2)7-6-10-15-8-4-5-9-15/h11H,4-5,8-10H2,1-3H3,(H,13,16)
MMDB

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n/an/an/a 7.50E+3n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004734
PNG
(CHEMBL310852 | N-Methyl-N-(1-methyl-4-pyrrolidin-1...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(C)=O
Show InChI InChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
MMDB

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n/an/an/an/a 190n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004732
PNG
(1-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea | C...)
Show SMILES CN(CC#CCN1CCCC1)C(N)=O
Show InChI InChI=1S/C10H17N3O/c1-12(10(11)14)6-2-3-7-13-8-4-5-9-13/h4-9H2,1H3,(H2,11,14)
MMDB

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n/an/an/an/a 4.49E+4n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004726
PNG
(1-(1-Methyl-4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC(C#CCN1CCCC1)N1CCCC1=O
Show InChI InChI=1S/C13H20N2O/c1-12(15-11-5-7-13(15)16)6-4-10-14-8-2-3-9-14/h12H,2-3,5,7-11H2,1H3
MMDB

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n/an/an/a 91n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004737
PNG
(3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3
MMDB

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n/an/an/an/a 500n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
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
MMDB

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n/an/an/an/a 120n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004735
PNG
(1-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidin-2-on...)
Show SMILES O=C1NCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C11H17N3O/c15-11-12-5-10-14(11)9-4-3-8-13-6-1-2-7-13/h1-2,5-10H2,(H,12,15)
MMDB

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n/an/an/an/a 2.67E+3n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004725
PNG
(1,3-Dimethyl-1-(1-methyl-4-pyrrolidin-1-yl-but-2-y...)
Show SMILES CNC(=O)N(C)C(C)C#CCN1CCCC1
Show InChI InChI=1S/C12H21N3O/c1-11(14(3)12(16)13-2)7-6-10-15-8-4-5-9-15/h11H,4-5,8-10H2,1-3H3,(H,13,16)
MMDB

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n/an/an/an/a 2.11E+3n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004730
PNG
(2-Oxo-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazolidi...)
Show SMILES O=CN1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H17N3O2/c16-11-15-10-9-14(12(15)17)8-4-3-7-13-5-1-2-6-13/h11H,1-2,5-10H2
MMDB

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n/an/an/a 2.09E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004732
PNG
(1-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea | C...)
Show SMILES CN(CC#CCN1CCCC1)C(N)=O
Show InChI InChI=1S/C10H17N3O/c1-12(10(11)14)6-2-3-7-13-8-4-5-9-13/h4-9H2,1H3,(H2,11,14)
MMDB

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n/an/an/a 4.90E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004730
PNG
(2-Oxo-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazolidi...)
Show SMILES O=CN1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H17N3O2/c16-11-15-10-9-14(12(15)17)8-4-3-7-13-5-1-2-6-13/h11H,1-2,5-10H2
MMDB

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n/an/an/an/a 8.60E+3n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004731
PNG
(3-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidine-2,4...)
Show SMILES Oc1c[nH]c(=O)n1CC#CCN1CCCC1
Show InChI InChI=1S/C11H15N3O2/c15-10-9-12-11(16)14(10)8-4-3-7-13-5-1-2-6-13/h9,15H,1-2,5-8H2,(H,12,16)
MMDB

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n/an/an/an/a 4.64E+4n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004733
PNG
(1-Methyl-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CN1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H19N3O/c1-13-10-11-15(12(13)16)9-5-4-8-14-6-2-3-7-14/h2-3,6-11H2,1H3
MMDB

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n/an/an/a 2.90E+3n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
MMDB

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n/an/an/a 1.20E+3n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004731
PNG
(3-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidine-2,4...)
Show SMILES Oc1c[nH]c(=O)n1CC#CCN1CCCC1
Show InChI InChI=1S/C11H15N3O2/c15-10-9-12-11(16)14(10)8-4-3-7-13-5-1-2-6-13/h9,15H,1-2,5-8H2,(H,12,16)
MMDB

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n/an/an/a 1.00E+5n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004665
PNG
((oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyr...)
Show SMILES O=C1CCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2
MMDB

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n/an/an/an/a 50n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004736
PNG
(1,3-Dimethyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea...)
Show SMILES CNC(=O)N(C)CC#CCN1CCCC1
Show InChI InChI=1S/C11H19N3O/c1-12-11(15)13(2)7-3-4-8-14-9-5-6-10-14/h5-10H2,1-2H3,(H,12,15)
MMDB

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n/an/an/a 2.64E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
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
MMDB

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n/an/an/a 1.82E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004729
PNG
(1-Acetyl-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CC(=O)N1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H19N3O2/c1-12(17)16-11-10-15(13(16)18)9-5-4-8-14-6-2-3-7-14/h2-3,6-11H2,1H3
MMDB

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n/an/an/an/a>3.00E+5n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004734
PNG
(CHEMBL310852 | N-Methyl-N-(1-methyl-4-pyrrolidin-1...)
Show SMILES CC(C#CCN1CCCC1)N(C)C(C)=O
Show InChI InChI=1S/C12H20N2O/c1-11(13(3)12(2)15)7-6-10-14-8-4-5-9-14/h11H,4-5,8-10H2,1-3H3
MMDB

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n/an/an/a 240n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004735
PNG
(1-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidin-2-on...)
Show SMILES O=C1NCCN1CC#CCN1CCCC1
Show InChI InChI=1S/C11H17N3O/c15-11-12-5-10-14(11)9-4-3-8-13-6-1-2-7-13/h1-2,5-10H2,(H,12,15)
MMDB

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n/an/an/a 3.03E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004736
PNG
(1,3-Dimethyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea...)
Show SMILES CNC(=O)N(C)CC#CCN1CCCC1
Show InChI InChI=1S/C11H19N3O/c1-12-11(15)13(2)7-3-4-8-14-9-5-6-10-14/h5-10H2,1-2H3,(H,12,15)
MMDB

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n/an/an/an/a 2.16E+3n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004737
PNG
(3-Methyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-pyrrolid...)
Show SMILES CC1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C13H20N2O/c1-12-6-11-15(13(12)16)10-5-4-9-14-7-2-3-8-14/h12H,2-3,6-11H2,1H3
MMDB

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n/an/an/a 1.15E+4n/an/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Dissociation constant for complex with muscarinic acetylcholine receptor M3 of guinea pig ileum


Citation and Details
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Cavia porcellus)
BDBM50004733
PNG
(1-Methyl-3-(4-pyrrolidin-1-yl-but-2-ynyl)-imidazol...)
Show SMILES CN1CCN(CC#CCN2CCCC2)C1=O
Show InChI InChI=1S/C12H19N3O/c1-13-10-11-15(12(13)16)9-5-4-8-14-6-2-3-7-14/h2-3,6-11H2,1H3
MMDB

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n/an/an/an/a 100n/an/an/an/a



University of Uppsala

Curated by ChEMBL


Assay Description
Muscarinic acetylcholine receptor M3 agonistic/antagonistic activity in guinea pig ileum


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Ligand-Target Pair
* indicates data uncertainty>20%