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Compile Data Set for Download or QSAR

Found 20 hits of ec50 data for polymerid = 49000358   
Target
(Institution)
LigandTarget
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


(Mus musculus)
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
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n/an/an/an/a 270n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50005677
PNG
(CHEMBL23957 | OXO-M | Trimethyl-[4-(2-oxo-pyrrolid...)
Show SMILES C[N+](C)(C)CC#CCN1CCCC1=O
Show InChI InChI=1S/C11H19N2O/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14/h6-10H2,1-3H3/q+1
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n/an/an/an/a 700n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50046723
PNG
(5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahy...)
Show SMILES Cc1noc(n1)C1CNC=NC1
Show InChI InChI=1S/C7H10N4O/c1-5-10-7(12-11-5)6-2-8-4-9-3-6/h4,6H,2-3H2,1H3,(H,8,9)
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n/an/an/an/a 5.40E+3n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50003359
PNG
(5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2...)
Show SMILES CCCCCCOc1nsnc1C1=CCCN(C)C1
Show InChI InChI=1S/C14H23N3OS/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12/h8H,3-7,9-11H2,1-2H3
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n/an/an/an/a 5.70E+3n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50008072
PNG
((+)-pilocarpine | (3S,4R)-3-ethyl-4-[(1-methyl-1H-...)
Show SMILES CC[C@H]1[C@@H](Cc2cncn2C)COC1=O
Show InChI InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
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n/an/an/an/a 6.90E+3n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50046730
PNG
(5-(3-Ethyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahyd...)
Show SMILES CCc1noc(n1)C1CNC=NC1
Show InChI InChI=1S/C8H12N4O/c1-2-7-11-8(13-12-7)6-3-9-5-10-4-6/h5-6H,2-4H2,1H3,(H,9,10)
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n/an/an/an/a 1.20E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50046728
PNG
(1-Methyl-5-(3-methyl-[1,2,4]oxadiazol-5-yl)-1,2,3,...)
Show SMILES CN1CCC=C(C1)c1nc(C)no1
Show InChI InChI=1S/C9H13N3O/c1-7-10-9(13-11-7)8-4-3-5-12(2)6-8/h4H,3,5-6H2,1-2H3
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n/an/an/an/a 1.20E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50057399
PNG
(5-(3-Methylsulfanylmethyl-[1,2,4]oxadiazol-5-yl)-1...)
Show SMILES CSCc1noc(n1)C1CNC=NC1
Show InChI InChI=1S/C8H12N4OS/c1-14-4-7-11-8(13-12-7)6-2-9-5-10-3-6/h5-6H,2-4H2,1H3,(H,9,10)
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n/an/an/an/a 1.40E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM46858
PNG
(1-methyl-3,6-dihydro-2H-pyridine-5-carboxylic acid...)
Show SMILES COC(=O)C1=CCCN(C)C1
Show InChI InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3
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n/an/an/an/a 2.70E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50039843
PNG
(1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid pr...)
Show SMILES O=C(OCC#C)C1CNC=NC1
Show InChI InChI=1S/C8H10N2O2/c1-2-3-12-8(11)7-4-9-6-10-5-7/h1,6-7H,3-5H2,(H,9,10)
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n/an/an/an/a 3.30E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
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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n/an/an/an/a 4.00E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50039848
PNG
(6-Amino-2,3,4,5-tetrahydro-pyridine-3-carboxylic a...)
Show SMILES COC(=O)C1CCC(N)=NC1
Show InChI InChI=1S/C7H12N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h5H,2-4H2,1H3,(H2,8,9)
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n/an/an/an/a 4.10E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50039849
PNG
(1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid et...)
Show SMILES CCOC(=O)C1CNC=NC1
Show InChI InChI=1S/C7H12N2O2/c1-2-11-7(10)6-3-8-5-9-4-6/h5-6H,2-4H2,1H3,(H,8,9)
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n/an/an/an/a 4.40E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50057400
PNG
(1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid bu...)
Show SMILES CC#CCOC(=O)C1CNC=NC1
Show InChI InChI=1S/C9H12N2O2/c1-2-3-4-13-9(12)8-5-10-7-11-6-8/h7-8H,4-6H2,1H3,(H,10,11)
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n/an/an/an/a 5.00E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50057407
PNG
(1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid (E...)
Show SMILES C\C(=C/COC(=O)C1CNC=NC1)C#C
Show InChI InChI=1S/C11H14N2O2/c1-3-9(2)4-5-15-11(14)10-6-12-8-13-7-10/h1,4,8,10H,5-7H2,2H3,(H,12,13)/b9-4+
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n/an/an/an/a 8.00E+4n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50039834
PNG
(6-Amino-2,3,4,5-tetrahydro-pyridine-3-carboxylic a...)
Show SMILES NC1=NCC(CC1)C(=O)OCC#C
Show InChI InChI=1S/C9H12N2O2/c1-2-5-13-9(12)7-3-4-8(10)11-6-7/h1,7H,3-6H2,(H2,10,11)
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n/an/an/an/a 1.16E+5n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50039844
PNG
(2-Amino-1,4,5,6-tetrahydro-pyrimidine-5-carboxylic...)
Show SMILES COC(=O)C1CNC(N)=NC1
Show InChI InChI=1S/C6H11N3O2/c1-11-5(10)4-2-8-6(7)9-3-4/h4H,2-3H2,1H3,(H3,7,8,9)
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n/an/an/an/a 1.60E+5n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50039839
PNG
(1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid me...)
Show SMILES COC(=O)C1CNC=NC1
Show InChI InChI=1S/C6H10N2O2/c1-10-6(9)5-2-7-4-8-3-5/h4-5H,2-3H2,1H3,(H,7,8)
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n/an/an/an/a 2.00E+5n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50039833
PNG
(2-Amino-1,4,5,6-tetrahydro-pyrimidine-5-carboxylic...)
Show SMILES NC1=NCC(CN1)C(=O)OCC#C
Show InChI InChI=1S/C8H11N3O2/c1-2-3-13-7(12)6-4-10-8(9)11-5-6/h1,6H,3-5H2,(H3,9,10,11)
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n/an/an/an/a 3.00E+5n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


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


(Mus musculus)
BDBM50057397
PNG
(1,4,5,6-Tetrahydro-pyrimidine-5-carboxylic acid bu...)
Show SMILES O=C(OCCC#C)C1CNC=NC1
Show InChI InChI=1S/C9H12N2O2/c1-2-3-4-13-9(12)8-5-10-7-11-6-8/h1,7-8H,3-6H2,(H,10,11)
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n/an/an/an/a 5.60E+5n/an/an/an/a



The University of Toledo

Curated by ChEMBL


Assay Description
Tested against Muscarinic acetylcholine receptor M1 expressed in A9 L cell line


Citation and Details
More data for this
Ligand-Target Pair