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PubMed code 27173801

Compile data set for download or QSAR
Found 29 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 M1


(RAT)
BDBM50185427
PNG
(CHEMBL3823130)
Show SMILES Cn1cc(cn1)-c1ccc(CN2Cc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C18H15FN4O/c1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-9H,10-11H2,1H3
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n/an/an/an/a 3.20E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185432
PNG
(CHEMBL3824092)
Show SMILES Cn1cnc2ccc(cc12)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-11-26-19-3-2-13(8-21(19)28)14-6-17(23)16(18(24)7-14)10-29-12-27-20-9-25-5-4-15(20)22(29)30/h2-9,11-12H,10H2,1H3
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n/an/an/an/a 5.25E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185424
PNG
(CHEMBL3823059)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2c3ccccc3ncc2=O)c(F)c1
Show InChI InChI=1S/C23H16F2N4O/c1-28-12-16-15(5-4-7-20(16)27-28)14-9-18(24)17(19(25)10-14)13-29-22-8-3-2-6-21(22)26-11-23(29)30/h2-12H,13H2,1H3
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n/an/an/an/a 4.90E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185427
PNG
(CHEMBL3823130)
Show SMILES Cn1cc(cn1)-c1ccc(CN2Cc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C18H15FN4O/c1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-9H,10-11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 assessed as effect on receptor internalization


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185427
PNG
(CHEMBL3823130)
Show SMILES Cn1cc(cn1)-c1ccc(CN2Cc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C18H15FN4O/c1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-9H,10-11H2,1H3
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n/an/an/an/a 2.60E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 assessed as effect on beta-arrestin recruitment


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185431
PNG
(CHEMBL3823781)
Show SMILES Fc1cc(cc(F)c1Cn1cnc2cnccc2c1=O)-c1ccc2cnccc2c1
Show InChI InChI=1S/C23H14F2N4O/c24-20-8-17(14-1-2-16-10-26-5-3-15(16)7-14)9-21(25)19(20)12-29-13-28-22-11-27-6-4-18(22)23(29)30/h1-11,13H,12H2
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n/an/an/an/a 6.10E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185425
PNG
(CHEMBL3823474)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3
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n/an/an/an/a 4.27E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185426
PNG
(CHEMBL3823999)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2C=CC3=NCCN3C2=O)c(F)c1
Show InChI InChI=1S/C21H17F2N5O/c1-26-11-15-14(3-2-4-19(15)25-26)13-9-17(22)16(18(23)10-13)12-27-7-5-20-24-6-8-28(20)21(27)29/h2-5,7,9-11H,6,8,12H2,1H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185423
PNG
(CHEMBL3823885)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-10-16-14(3-2-4-20(16)27-28)13-7-18(23)17(19(24)8-13)11-29-12-26-21-9-25-6-5-15(21)22(29)30/h2-10,12H,11H2,1H3
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n/an/an/an/a 4.79E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185431
PNG
(CHEMBL3823781)
Show SMILES Fc1cc(cc(F)c1Cn1cnc2cnccc2c1=O)-c1ccc2cnccc2c1
Show InChI InChI=1S/C23H14F2N4O/c24-20-8-17(14-1-2-16-10-26-5-3-15(16)7-14)9-21(25)19(20)12-29-13-28-22-11-27-6-4-18(22)23(29)30/h1-11,13H,12H2
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n/an/an/an/a 6.17E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185425
PNG
(CHEMBL3823474)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185427
PNG
(CHEMBL3823130)
Show SMILES Cn1cc(cn1)-c1ccc(CN2Cc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C18H15FN4O/c1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-9H,10-11H2,1H3
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n/an/an/an/a 1.90E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185423
PNG
(CHEMBL3823885)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-10-16-14(3-2-4-20(16)27-28)13-7-18(23)17(19(24)8-13)11-29-12-26-21-9-25-6-5-15(21)22(29)30/h2-10,12H,11H2,1H3
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n/an/an/an/a 980n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 assessed as effect on beta-arrestin recruitment


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185422
PNG
(CHEMBL3822763)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3ccccc3c2=O)c(F)c1
Show InChI InChI=1S/C23H16F2N4O/c1-28-11-17-15(6-4-8-22(17)27-28)14-9-19(24)18(20(25)10-14)12-29-13-26-21-7-3-2-5-16(21)23(29)30/h2-11,13H,12H2,1H3
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n/an/an/an/a 4.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185432
PNG
(CHEMBL3824092)
Show SMILES Cn1cnc2ccc(cc12)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-11-26-19-3-2-13(8-21(19)28)14-6-17(23)16(18(24)7-14)10-29-12-27-20-9-25-5-4-15(20)22(29)30/h2-9,11-12H,10H2,1H3
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n/an/an/an/a 5.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185422
PNG
(CHEMBL3822763)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3ccccc3c2=O)c(F)c1
Show InChI InChI=1S/C23H16F2N4O/c1-28-11-17-15(6-4-8-22(17)27-28)14-9-19(24)18(20(25)10-14)12-29-13-26-21-7-3-2-5-16(21)23(29)30/h2-11,13H,12H2,1H3
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n/an/an/an/a 4.79E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185426
PNG
(CHEMBL3823999)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2C=CC3=NCCN3C2=O)c(F)c1
Show InChI InChI=1S/C21H17F2N5O/c1-26-11-15-14(3-2-4-19(15)25-26)13-9-17(22)16(18(23)10-13)12-27-7-5-20-24-6-8-28(20)21(27)29/h2-5,7,9-11H,6,8,12H2,1H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185422
PNG
(CHEMBL3822763)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3ccccc3c2=O)c(F)c1
Show InChI InChI=1S/C23H16F2N4O/c1-28-11-17-15(6-4-8-22(17)27-28)14-9-19(24)18(20(25)10-14)12-29-13-26-21-7-3-2-5-16(21)23(29)30/h2-11,13H,12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185423
PNG
(CHEMBL3823885)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-10-16-14(3-2-4-20(16)27-28)13-7-18(23)17(19(24)8-13)11-29-12-26-21-9-25-6-5-15(21)22(29)30/h2-10,12H,11H2,1H3
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n/an/an/an/a 5.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185423
PNG
(CHEMBL3823885)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-10-16-14(3-2-4-20(16)27-28)13-7-18(23)17(19(24)8-13)11-29-12-26-21-9-25-6-5-15(21)22(29)30/h2-10,12H,11H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 assessed as effect on receptor internalization


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185423
PNG
(CHEMBL3823885)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-10-16-14(3-2-4-20(16)27-28)13-7-18(23)17(19(24)8-13)11-29-12-26-21-9-25-6-5-15(21)22(29)30/h2-10,12H,11H2,1H3
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n/an/an/an/a 4.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185428
PNG
(CHEMBL3824165)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCn3nccc3C2=O)c(F)c1
Show InChI InChI=1S/C21H17F2N5O/c1-26-11-15-14(3-2-4-19(15)25-26)13-9-17(22)16(18(23)10-13)12-27-7-8-28-20(21(27)29)5-6-24-28/h2-6,9-11H,7-8,12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185429
PNG
(CHEMBL3823424)
Show SMILES Cn1cc2cc(ccc2n1)-c1cc(F)c(CN2CCn3nccc3C2=O)c(F)c1
Show InChI InChI=1S/C21H17F2N5O/c1-26-11-15-8-13(2-3-19(15)25-26)14-9-17(22)16(18(23)10-14)12-27-6-7-28-20(21(27)29)4-5-24-28/h2-5,8-11H,6-7,12H2,1H3
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n/an/an/an/a 1.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185430
PNG
(CHEMBL3824114)
Show SMILES Cn1cc2cc(ccc2n1)-c1cc(F)c(Cn2c3cccnc3ncc2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-11-15-7-13(4-5-19(15)27-28)14-8-17(23)16(18(24)9-14)12-29-20-3-2-6-25-22(20)26-10-21(29)30/h2-11H,12H2,1H3
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n/an/an/an/a 2.75E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185426
PNG
(CHEMBL3823999)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2C=CC3=NCCN3C2=O)c(F)c1
Show InChI InChI=1S/C21H17F2N5O/c1-26-11-15-14(3-2-4-19(15)25-26)13-9-17(22)16(18(23)10-13)12-27-7-5-20-24-6-8-28(20)21(27)29/h2-5,7,9-11H,6,8,12H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185425
PNG
(CHEMBL3823474)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCc3ncccc3C2=O)c(F)c1
Show InChI InChI=1S/C23H18F2N4O/c1-28-12-17-15(4-2-6-22(17)27-28)14-10-19(24)18(20(25)11-14)13-29-9-7-21-16(23(29)30)5-3-8-26-21/h2-6,8,10-12H,7,9,13H2,1H3
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n/an/an/an/a 4.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50185424
PNG
(CHEMBL3823059)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2c3ccccc3ncc2=O)c(F)c1
Show InChI InChI=1S/C23H16F2N4O/c1-28-12-16-15(5-4-7-20(16)27-28)14-9-18(24)17(19(25)10-14)13-29-22-8-3-2-6-21(22)26-11-23(29)30/h2-12H,13H2,1H3
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185430
PNG
(CHEMBL3824114)
Show SMILES Cn1cc2cc(ccc2n1)-c1cc(F)c(Cn2c3cccnc3ncc2=O)c(F)c1
Show InChI InChI=1S/C22H15F2N5O/c1-28-11-15-7-13(4-5-19(15)27-28)14-8-17(23)16(18(24)9-14)12-29-20-3-2-6-25-22(20)26-10-21(29)30/h2-11H,12H2,1H3
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n/an/an/an/a 2.80E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50185424
PNG
(CHEMBL3823059)
Show SMILES Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2c3ccccc3ncc2=O)c(F)c1
Show InChI InChI=1S/C23H16F2N4O/c1-28-12-16-15(5-4-7-20(16)27-28)14-9-18(24)17(19(25)10-14)13-29-22-8-3-2-6-21(22)26-11-23(29)30/h2-12H,13H2,1H3
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n/an/an/an/a 4.90E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation at rat muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as potentiation of acetylcholine-induced c...


Bioorg Med Chem Lett 26: 3822-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.083
BindingDB Entry DOI: 10.7270/Q2RB76J6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%