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Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50044879   
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


(Homo sapiens (Human))
BDBM50034650
PNG
(CHEMBL3360957)
Show SMILES Cc1ccc(C)c(Cn2nc3c(c[nH]c4ccccc34)c2=O)c1
Show InChI InChI=1S/C19H17N3O/c1-12-7-8-13(2)14(9-12)11-22-19(23)16-10-20-17-6-4-3-5-15(17)18(16)21-22/h3-10,20H,11H2,1-2H3
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50313633
PNG
(1-(2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl)ind...)
Show SMILES Cn1cc(cn1)-c1ccc(CN2C(=O)C(=O)c3ccccc23)c(F)c1
Show InChI InChI=1S/C19H14FN3O2/c1-22-10-14(9-21-22)12-6-7-13(16(20)8-12)11-23-17-5-3-2-4-15(17)18(24)19(23)25/h2-10H,11H2,1H3
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n/an/an/an/a 830n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034653
PNG
(CHEMBL3360959)
Show SMILES O=c1n(Cc2ccccc2)nc2c1cn(Cc1ccc(cc1)-n1cccn1)c1ccccc21
Show InChI InChI=1S/C27H21N5O/c33-27-24-19-30(17-21-11-13-22(14-12-21)31-16-6-15-28-31)25-10-5-4-9-23(25)26(24)29-32(27)18-20-7-2-1-3-8-20/h1-16,19H,17-18H2
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n/an/an/an/a>10n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034654
PNG
(CHEMBL3360956)
Show SMILES O=C1N(Cc2ccc(cc2)-n2cccn2)c2ccccc2C1=O
Show InChI InChI=1S/C18H13N3O2/c22-17-15-4-1-2-5-16(15)20(18(17)23)12-13-6-8-14(9-7-13)21-11-3-10-19-21/h1-11H,12H2
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n/an/an/an/a 10n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM22794
PNG
(1-benzyl-2,3-dihydro-1H-indole-2,3-dione | Isatin-...)
Show SMILES O=C1N(Cc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C15H11NO2/c17-14-12-8-4-5-9-13(12)16(15(14)18)10-11-6-2-1-3-7-11/h1-9H,10H2
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n/an/an/an/a 10n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034655
PNG
(CHEMBL3360955)
Show SMILES O=c1[nH]nc2c1cn(Cc1ccc(cc1)-n1cccn1)c1ccccc21
Show InChI InChI=1S/C20H15N5O/c26-20-17-13-24(18-5-2-1-4-16(18)19(17)22-23-20)12-14-6-8-15(9-7-14)25-11-3-10-21-25/h1-11,13H,12H2,(H,23,26)
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n/an/an/an/a 1.20n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034656
PNG
(CHEMBL3360954)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc3c(n[nH]c3=O)c3ccccc23)c(F)c1
Show InChI InChI=1S/C21H16FN5O/c1-26-10-15(9-23-26)13-6-7-14(18(22)8-13)11-27-12-17-20(24-25-21(17)28)16-4-2-3-5-19(16)27/h2-10,12H,11H2,1H3,(H,25,28)
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n/an/an/an/a 0.600n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034657
PNG
(CHEMBL3360950)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4ccc(cc4)-n4cccn4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C29H25N5O/c1-20-8-11-23(21(2)16-20)18-34-29(35)26-19-32(27-7-4-3-6-25(27)28(26)31-34)17-22-9-12-24(13-10-22)33-15-5-14-30-33/h3-16,19H,17-18H2,1-2H3
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n/an/an/an/a 1.15E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034658
PNG
(CHEMBL3360949)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4ccc(cc4F)-c4cnn(C)c4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C30H26FN5O/c1-19-8-9-22(20(2)12-19)17-36-30(37)26-18-35(28-7-5-4-6-25(28)29(26)33-36)16-23-11-10-21(13-27(23)31)24-14-32-34(3)15-24/h4-15,18H,16-17H2,1-3H3
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n/an/an/an/a 1.94E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034659
PNG
(CHEMBL3360947)
Show SMILES COc1ccc(Cn2cc3c(nn(Cc4ccc(C)cc4C)c3=O)c3ccccc23)cc1
Show InChI InChI=1S/C27H25N3O2/c1-18-8-11-21(19(2)14-18)16-30-27(31)24-17-29(15-20-9-12-22(32-3)13-10-20)25-7-5-4-6-23(25)26(24)28-30/h4-14,17H,15-16H2,1-3H3
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n/an/an/an/a 821n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034660
PNG
(CHEMBL3360946)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4ccncc4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C25H22N4O/c1-17-7-8-20(18(2)13-17)15-29-25(30)22-16-28(14-19-9-11-26-12-10-19)23-6-4-3-5-21(23)24(22)27-29/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 1.55E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034661
PNG
(CHEMBL3360945)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4cccnc4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C25H22N4O/c1-17-9-10-20(18(2)12-17)15-29-25(30)22-16-28(14-19-6-5-11-26-13-19)23-8-4-3-7-21(23)24(22)27-29/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 3.66E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034662
PNG
(CHEMBL3360944)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4ccccn4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C25H22N4O/c1-17-10-11-19(18(2)13-17)14-29-25(30)22-16-28(15-20-7-5-6-12-26-20)23-9-4-3-8-21(23)24(22)27-29/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 3.79E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034663
PNG
(CHEMBL3360940)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4ccc(F)cc4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C26H22FN3O/c1-17-7-10-20(18(2)13-17)15-30-26(31)23-16-29(14-19-8-11-21(27)12-9-19)24-6-4-3-5-22(24)25(23)28-30/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 2.02E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034664
PNG
(CHEMBL3360939)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4cccc(F)c4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C26H22FN3O/c1-17-10-11-20(18(2)12-17)15-30-26(31)23-16-29(14-19-6-5-7-21(27)13-19)24-9-4-3-8-22(24)25(23)28-30/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 1.42E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034665
PNG
(CHEMBL3360938)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4ccccc4F)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C26H22FN3O/c1-17-11-12-19(18(2)13-17)15-30-26(31)22-16-29(14-20-7-3-5-9-23(20)27)24-10-6-4-8-21(24)25(22)28-30/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 656n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034666
PNG
(CHEMBL3360936)
Show SMILES O=c1n(Cc2ccncc2)nc2c1cn(Cc1ccccc1)c1ccccc21
Show InChI InChI=1S/C23H18N4O/c28-23-20-16-26(14-17-6-2-1-3-7-17)21-9-5-4-8-19(21)22(20)25-27(23)15-18-10-12-24-13-11-18/h1-13,16H,14-15H2
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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 modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034667
PNG
(CHEMBL3360935)
Show SMILES O=c1n(Cc2cccnc2)nc2c1cn(Cc1ccccc1)c1ccccc21
Show InChI InChI=1S/C23H18N4O/c28-23-20-16-26(14-17-7-2-1-3-8-17)21-11-5-4-10-19(21)22(20)25-27(23)15-18-9-6-12-24-13-18/h1-13,16H,14-15H2
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n/an/an/an/a 6.31E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034679
PNG
(CHEMBL3360934)
Show SMILES O=c1n(Cc2ccccn2)nc2c1cn(Cc1ccccc1)c1ccccc21
Show InChI InChI=1S/C23H18N4O/c28-23-20-16-26(14-17-8-2-1-3-9-17)21-12-5-4-11-19(21)22(20)25-27(23)15-18-10-6-7-13-24-18/h1-13,16H,14-15H2
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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 modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034680
PNG
(CHEMBL3360931)
Show SMILES Cc1ccccc1Cn1nc2c(cn(Cc3ccccc3)c3ccccc23)c1=O
Show InChI InChI=1S/C25H21N3O/c1-18-9-5-6-12-20(18)16-28-25(29)22-17-27(15-19-10-3-2-4-11-19)23-14-8-7-13-21(23)24(22)26-28/h2-14,17H,15-16H2,1H3
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n/an/an/an/a 783n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034771
PNG
(CHEMBL3360928)
Show SMILES Fc1ccccc1Cn1nc2c(cn(Cc3ccccc3)c3ccccc23)c1=O
Show InChI InChI=1S/C24H18FN3O/c25-21-12-6-4-10-18(21)15-28-24(29)20-16-27(14-17-8-2-1-3-9-17)22-13-7-5-11-19(22)23(20)26-28/h1-13,16H,14-15H2
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n/an/an/an/a 1.01E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034772
PNG
(CHEMBL89202)
Show SMILES Cn1nc2c(cn(Cc3ccccc3)c3ccccc23)c1=O
Show InChI InChI=1S/C18H15N3O/c1-20-18(22)15-12-21(11-13-7-3-2-4-8-13)16-10-6-5-9-14(16)17(15)19-20/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 modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034657
PNG
(CHEMBL3360950)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4ccc(cc4)-n4cccn4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C29H25N5O/c1-20-8-11-23(21(2)16-20)18-34-29(35)26-19-32(27-7-4-3-6-25(27)28(26)31-34)17-22-9-12-24(13-10-22)33-15-5-14-30-33/h3-16,19H,17-18H2,1-2H3
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n/an/an/an/a 1.15E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034658
PNG
(CHEMBL3360949)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4ccc(cc4F)-c4cnn(C)c4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C30H26FN5O/c1-19-8-9-22(20(2)12-19)17-36-30(37)26-18-35(28-7-5-4-6-25(28)29(26)33-36)16-23-11-10-21(13-27(23)31)24-14-32-34(3)15-24/h4-15,18H,16-17H2,1-3H3
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n/an/an/an/a 1.95E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034659
PNG
(CHEMBL3360947)
Show SMILES COc1ccc(Cn2cc3c(nn(Cc4ccc(C)cc4C)c3=O)c3ccccc23)cc1
Show InChI InChI=1S/C27H25N3O2/c1-18-8-11-21(19(2)14-18)16-30-27(31)24-17-29(15-20-9-12-22(32-3)13-10-20)25-7-5-4-6-23(25)26(24)28-30/h4-14,17H,15-16H2,1-3H3
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n/an/an/an/a 813n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034660
PNG
(CHEMBL3360946)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4ccncc4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C25H22N4O/c1-17-7-8-20(18(2)13-17)15-29-25(30)22-16-28(14-19-9-11-26-12-10-19)23-6-4-3-5-21(23)24(22)27-29/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 1.55E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034661
PNG
(CHEMBL3360945)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4cccnc4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C25H22N4O/c1-17-9-10-20(18(2)12-17)15-29-25(30)22-16-28(14-19-6-5-11-26-13-19)23-8-4-3-7-21(23)24(22)27-29/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 3.63E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034662
PNG
(CHEMBL3360944)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4ccccn4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C25H22N4O/c1-17-10-11-19(18(2)13-17)14-29-25(30)22-16-28(15-20-7-5-6-12-26-20)23-9-4-3-8-21(23)24(22)27-29/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 3.80E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034663
PNG
(CHEMBL3360940)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4ccc(F)cc4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C26H22FN3O/c1-17-7-10-20(18(2)13-17)15-30-26(31)23-16-29(14-19-8-11-21(27)12-9-19)24-6-4-3-5-22(24)25(23)28-30/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 2.04E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034664
PNG
(CHEMBL3360939)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4cccc(F)c4)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C26H22FN3O/c1-17-10-11-20(18(2)12-17)15-30-26(31)23-16-29(14-19-6-5-7-21(27)13-19)24-9-4-3-8-22(24)25(23)28-30/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 1.41E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034665
PNG
(CHEMBL3360938)
Show SMILES Cc1ccc(Cn2nc3c(cn(Cc4ccccc4F)c4ccccc34)c2=O)c(C)c1
Show InChI InChI=1S/C26H22FN3O/c1-17-11-12-19(18(2)13-17)15-30-26(31)22-16-29(14-20-7-3-5-9-23(20)27)24-10-6-4-8-21(24)25(22)28-30/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 661n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034666
PNG
(CHEMBL3360936)
Show SMILES O=c1n(Cc2ccncc2)nc2c1cn(Cc1ccccc1)c1ccccc21
Show InChI InChI=1S/C23H18N4O/c28-23-20-16-26(14-17-6-2-1-3-7-17)21-9-5-4-8-19(21)22(20)25-27(23)15-18-10-12-24-13-11-18/h1-13,16H,14-15H2
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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 modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034667
PNG
(CHEMBL3360935)
Show SMILES O=c1n(Cc2cccnc2)nc2c1cn(Cc1ccccc1)c1ccccc21
Show InChI InChI=1S/C23H18N4O/c28-23-20-16-26(14-17-7-2-1-3-8-17)21-11-5-4-10-19(21)22(20)25-27(23)15-18-9-6-12-24-13-18/h1-13,16H,14-15H2
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n/an/an/an/a 6.31E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034679
PNG
(CHEMBL3360934)
Show SMILES O=c1n(Cc2ccccn2)nc2c1cn(Cc1ccccc1)c1ccccc21
Show InChI InChI=1S/C23H18N4O/c28-23-20-16-26(14-17-8-2-1-3-9-17)21-12-5-4-11-19(21)22(20)25-27(23)15-18-10-6-7-13-24-18/h1-13,16H,14-15H2
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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 modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034680
PNG
(CHEMBL3360931)
Show SMILES Cc1ccccc1Cn1nc2c(cn(Cc3ccccc3)c3ccccc23)c1=O
Show InChI InChI=1S/C25H21N3O/c1-18-9-5-6-12-20(18)16-28-25(29)22-17-27(15-19-10-3-2-4-11-19)23-14-8-7-13-21(23)24(22)26-28/h2-14,17H,15-16H2,1H3
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n/an/an/an/a 776n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034771
PNG
(CHEMBL3360928)
Show SMILES Fc1ccccc1Cn1nc2c(cn(Cc3ccccc3)c3ccccc23)c1=O
Show InChI InChI=1S/C24H18FN3O/c25-21-12-6-4-10-18(21)15-28-24(29)20-16-27(14-17-8-2-1-3-9-17)22-13-7-5-11-19(22)23(20)26-28/h1-13,16H,14-15H2
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n/an/an/an/a 1.00E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034772
PNG
(CHEMBL89202)
Show SMILES Cn1nc2c(cn(Cc3ccccc3)c3ccccc23)c1=O
Show InChI InChI=1S/C18H15N3O/c1-20-18(22)15-12-21(11-13-7-3-2-4-8-13)16-10-6-5-9-14(16)17(15)19-20/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 modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034773
PNG
(CHEMBL1556989)
Show SMILES Cc1ccc(C)c(Cn2nc3c(cn(Cc4ccccc4)c4ccccc34)c2=O)c1
Show InChI InChI=1S/C26H23N3O/c1-18-12-13-19(2)21(14-18)16-29-26(30)23-17-28(15-20-8-4-3-5-9-20)24-11-7-6-10-22(24)25(23)27-29/h3-14,17H,15-16H2,1-2H3
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n/an/an/an/a 473n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034774
PNG
(CHEMBL3360927)
Show SMILES Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(nc3)-c3cnn(C)c3)c3cc(F)cc(F)c23)no1
Show InChI InChI=1S/C24H20F2N6O4S/c1-14-5-22(30-36-14)29-23(33)13-37(34,35)21-12-32(20-7-17(25)6-18(26)24(20)21)10-15-3-4-19(27-8-15)16-9-28-31(2)11-16/h3-9,11-12H,10,13H2,1-2H3,(H,29,30,33)
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n/an/an/an/a 845n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50034652
PNG
(CHEMBL3360958)
Show SMILES Cn1nc2c(cn(Cc3ccc(cc3)-n3cccn3)c3ccccc23)c1=O
Show InChI InChI=1S/C21H17N5O/c1-24-21(27)18-14-25(19-6-3-2-5-17(19)20(18)23-24)13-15-7-9-16(10-8-15)26-12-4-11-22-26/h2-12,14H,13H2,1H3
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n/an/an/an/a 2.43E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic receptor subtype 1 expressed in CHO-K1 cells by calcium mobilization assay


Bioorg Med Chem Lett 25: 384-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.011
BindingDB Entry DOI: 10.7270/Q24X59D5
More data for this
Ligand-Target Pair