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Compile Data Set for Download or QSAR

Found 201 hits with Last Name = 'scott daniels' and Initial = 'j'   
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
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148972
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1nc(C)c(C)n1C
Show InChI InChI=1S/C21H23BrN2O/c1-14-15(2)24(3)21(23-14)19-8-6-5-7-16(19)9-10-17-13-18(22)11-12-20(17)25-4/h5-8,11-13H,9-10H2,1-4H3
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140n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148974
PNG
(3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2CCCn12
Show InChI InChI=1S/C21H20BrClN2O/c1-26-20-10-8-15(22)12-14(20)7-9-17-18(5-2-6-19(17)23)21-24-13-16-4-3-11-25(16)21/h2,5-6,8,10,12-13H,3-4,7,9,11H2,1H3
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180n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148977
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1ncc(C)n1C
Show InChI InChI=1S/C20H21BrN2O/c1-14-13-22-20(23(14)2)18-7-5-4-6-15(18)8-9-16-12-17(21)10-11-19(16)24-3/h4-7,10-13H,8-9H2,1-3H3
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180n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148976
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1nc(C)cn1C
Show InChI InChI=1S/C20H21BrN2O/c1-14-13-23(2)20(22-14)18-7-5-4-6-15(18)8-9-16-12-17(21)10-11-19(16)24-3/h4-7,10-13H,8-9H2,1-3H3
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270n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148967
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C
Show InChI InChI=1S/C19H18BrClN2O/c1-23-11-10-22-19(23)16-4-3-5-17(21)15(16)8-6-13-12-14(20)7-9-18(13)24-2/h3-5,7,9-12H,6,8H2,1-2H3
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300n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148969
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES CCn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C20H20BrClN2O/c1-3-24-12-11-23-20(24)17-5-4-6-18(22)16(17)9-7-14-13-15(21)8-10-19(14)25-2/h4-6,8,10-13H,3,7,9H2,1-2H3
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310n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148973
PNG
(3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-fluoro...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2CCCn12
Show InChI InChI=1S/C21H20BrFN2O/c1-26-20-10-8-15(22)12-14(20)7-9-17-18(5-2-6-19(17)23)21-24-13-16-4-3-11-25(16)21/h2,5-6,8,10,12-13H,3-4,7,9,11H2,1H3
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320n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148978
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES CCc1cnc(-c2ccccc2CCc2cc(Br)ccc2OC)n1C
Show InChI InChI=1S/C21H23BrN2O/c1-4-18-14-23-21(24(18)2)19-8-6-5-7-15(19)9-10-16-13-17(22)11-12-20(16)25-3/h5-8,11-14H,4,9-10H2,1-3H3
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320n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148983
PNG
(3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc2CCCCn12
Show InChI InChI=1S/C22H22BrClN2O/c1-27-21-11-9-16(23)13-15(21)8-10-18-19(6-4-7-20(18)24)22-25-14-17-5-2-3-12-26(17)22/h4,6-7,9,11,13-14H,2-3,5,8,10,12H2,1H3
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340n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148981
PNG
(3-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-fluoro...)
Show SMILES COc1ccc(Br)cc1CCc1c(F)cccc1-c1ncc2CCCCn12
Show InChI InChI=1S/C22H22BrFN2O/c1-27-21-11-9-16(23)13-15(21)8-10-18-19(6-4-7-20(18)24)22-25-14-17-5-2-3-12-26(17)22/h4,6-7,9,11,13-14H,2-3,5,8,10,12H2,1H3
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620n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148971
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1C(C)C
Show InChI InChI=1S/C21H22BrClN2O/c1-14(2)25-12-11-24-21(25)18-5-4-6-19(23)17(18)9-7-15-13-16(22)8-10-20(15)26-3/h4-6,8,10-14H,7,9H2,1-3H3
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670n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148984
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES CCc1cn(C)c(n1)-c1ccccc1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C21H23BrN2O/c1-4-18-14-24(2)21(23-18)19-8-6-5-7-15(19)9-10-16-13-17(22)11-12-20(16)25-3/h5-8,11-14H,4,9-10H2,1-3H3
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690n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148980
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES CCCn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C21H22BrClN2O/c1-3-12-25-13-11-24-21(25)18-5-4-6-19(23)17(18)9-7-15-14-16(22)8-10-20(15)26-2/h4-6,8,10-11,13-14H,3,7,9,12H2,1-2H3
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1.30E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148970
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1ncc[nH]1
Show InChI InChI=1S/C18H16BrClN2O/c1-23-17-8-6-13(19)11-12(17)5-7-14-15(3-2-4-16(14)20)18-21-9-10-22-18/h2-4,6,8-11H,5,7H2,1H3,(H,21,22)
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1.50E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148975
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-phenyl}-...)
Show SMILES COc1ccc(Br)cc1CCc1ccccc1-c1nc(cn1C)C(C)C
Show InChI InChI=1S/C22H25BrN2O/c1-15(2)20-14-25(3)22(24-20)19-8-6-5-7-16(19)9-10-17-13-18(23)11-12-21(17)26-4/h5-8,11-15H,9-10H2,1-4H3
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1.60E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148968
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES COc1ccc(Br)cc1CCc1c(Cl)cccc1-c1nccn1CC1CC1
Show InChI InChI=1S/C22H22BrClN2O/c1-27-21-10-8-17(23)13-16(21)7-9-18-19(3-2-4-20(18)24)22-25-11-12-26(22)14-15-5-6-15/h2-4,8,10-13,15H,5-7,9,14H2,1H3
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2.00E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148979
PNG
(2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-chloro...)
Show SMILES CCC(C)n1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1OC
Show InChI InChI=1S/C22H24BrClN2O/c1-4-15(2)26-13-12-25-22(26)19-6-5-7-20(24)18(19)10-8-16-14-17(23)9-11-21(16)27-3/h5-7,9,11-15H,4,8,10H2,1-3H3
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2.50E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50148982
PNG
(4-Bromo-2-{2-[2-chloro-6-(1-methyl-1H-imidazol-2-y...)
Show SMILES Cn1ccnc1-c1cccc(Cl)c1CCc1cc(Br)ccc1O
Show InChI InChI=1S/C18H16BrClN2O/c1-22-10-9-21-18(22)15-3-2-4-16(20)14(15)7-5-12-11-13(19)6-8-17(12)23/h2-4,6,8-11,23H,5,7H2,1H3
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9.30E+3n/an/an/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards melanocortin 4 receptor.


Bioorg Med Chem Lett 14: 3721-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.003
BindingDB Entry DOI: 10.7270/Q2JS9PWV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50402788
PNG
(CHEMBL2208408)
Show SMILES CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C15H15ClN2O3S/c1-22(20,21)18(14-10-6-5-9-13(14)16)11-15(19)17-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM44464
PNG
(2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)ace...)
Show SMILES CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl
Show InChI InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50402787
PNG
(CHEMBL2208405)
Show SMILES CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H16ClF3N2O3S/c1-24(22,23)20(8-13(21)19-7-9-2-3-9)12-6-10(14(16,17)18)4-5-11(12)15/h4-6,9H,2-3,7-8H2,1H3,(H,19,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50362394
PNG
(CHEMBL1940125)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H23N5O3S/c27-21(26-15-13-25(14-16-26)17-6-10-22-11-7-17)8-12-24-30(28,29)20-5-1-4-19-18(20)3-2-9-23-19/h1-7,9-11,24H,8,12-16H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fluo...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)
BDBM50362367
PNG
(CHEMBL1628667)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C18H20N6O3S2/c25-17(24-12-10-23(11-13-24)14-4-7-19-8-5-14)6-9-20-29(26,27)16-3-1-2-15-18(16)22-28-21-15/h1-5,7-8,20H,6,9-13H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fluo...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362377
PNG
(CHEMBL1939962)
Show SMILES Brc1ccc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C18H19BrN6O3S2/c19-13-4-5-16(20-12-13)24-8-10-25(11-9-24)17(26)6-7-21-30(27,28)15-3-1-2-14-18(15)23-29-22-14/h1-5,12,21H,6-11H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362394
PNG
(CHEMBL1940125)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H23N5O3S/c27-21(26-15-13-25(14-16-26)17-6-10-22-11-7-17)8-12-24-30(28,29)20-5-1-4-19-18(20)3-2-9-23-19/h1-7,9-11,24H,8,12-16H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362367
PNG
(CHEMBL1628667)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C18H20N6O3S2/c25-17(24-12-10-23(11-13-24)14-4-7-19-8-5-14)6-9-20-29(26,27)16-3-1-2-15-18(16)22-28-21-15/h1-5,7-8,20H,6,9-13H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362383
PNG
(CHEMBL1939968)
Show SMILES Brc1ccc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nonc12
Show InChI InChI=1S/C18H19BrN6O4S/c19-13-4-5-16(20-12-13)24-8-10-25(11-9-24)17(26)6-7-21-30(27,28)15-3-1-2-14-18(15)23-29-22-14/h1-5,12,21H,6-11H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362368
PNG
(CHEMBL1939954)
Show SMILES Cc1cnccc1N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C19H22N6O3S2/c1-14-13-20-7-5-16(14)24-9-11-25(12-10-24)18(26)6-8-21-30(27,28)17-4-2-3-15-19(17)23-29-22-15/h2-5,7,13,21H,6,8-12H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362393
PNG
(CHEMBL1940124)
Show SMILES Brc1ccc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2ncccc12
Show InChI InChI=1S/C21H22BrN5O3S/c22-16-6-7-20(24-15-16)26-11-13-27(14-12-26)21(28)8-10-25-31(29,30)19-5-1-4-18-17(19)3-2-9-23-18/h1-7,9,15,25H,8,10-14H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362384
PNG
(CHEMBL1939969)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2nonc12)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C18H20N6O4S/c25-17(24-12-10-23(11-13-24)14-4-7-19-8-5-14)6-9-20-29(26,27)16-3-1-2-15-18(16)22-28-21-15/h1-5,7-8,20H,6,9-13H2
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n/an/a 2.60E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362372
PNG
(CHEMBL1939957)
Show SMILES Clc1ccnc(c1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C18H19ClN6O3S2/c19-13-4-6-20-16(12-13)24-8-10-25(11-9-24)17(26)5-7-21-30(27,28)15-3-1-2-14-18(15)23-29-22-14/h1-4,6,12,21H,5,7-11H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM43822
PNG
(4-[2-(o-toluoylamino)ethylamino]piperidine-1-carbo...)
Show SMILES CCOC(=O)N1CCC(CC1)NCCNC(=O)c1ccccc1C
Show InChI InChI=1S/C18H27N3O3/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at dopamine D2 receptor


Bioorg Med Chem Lett 21: 6451-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.084
BindingDB Entry DOI: 10.7270/Q26W9BG8
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362389
PNG
(CHEMBL1940121)
Show SMILES Fc1ccc(c2nonc12)S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccc(Br)cn1
Show InChI InChI=1S/C18H18BrFN6O4S/c19-12-1-4-15(21-11-12)25-7-9-26(10-8-25)16(27)5-6-22-31(28,29)14-3-2-13(20)17-18(14)24-30-23-17/h1-4,11,22H,5-10H2
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n/an/a 4.80E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402787
PNG
(CHEMBL2208405)
Show SMILES CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H16ClF3N2O3S/c1-24(22,23)20(8-13(21)19-7-9-2-3-9)12-6-10(14(16,17)18)4-5-11(12)15/h4-6,9H,2-3,7-8H2,1H3,(H,19,21)
PDB
MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362386
PNG
(CHEMBL1939971)
Show SMILES Cc1ccc2nonc2c1S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C19H22N6O4S/c1-14-2-3-16-18(23-29-22-16)19(14)30(27,28)21-9-6-17(26)25-12-10-24(11-13-25)15-4-7-20-8-5-15/h2-5,7-8,21H,6,9-13H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362387
PNG
(CHEMBL1940119)
Show SMILES Clc1ccc2nonc2c1S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccc(Br)cn1
Show InChI InChI=1S/C18H18BrClN6O4S/c19-12-1-4-15(21-11-12)25-7-9-26(10-8-25)16(27)5-6-22-31(28,29)18-13(20)2-3-14-17(18)24-30-23-14/h1-4,11,22H,5-10H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362388
PNG
(CHEMBL1940120)
Show SMILES Cc1ccc2nsnc2c1S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C19H22N6O3S2/c1-14-2-3-16-18(23-29-22-16)19(14)30(27,28)21-9-6-17(26)25-12-10-24(11-13-25)15-4-7-20-8-5-15/h2-5,7-8,21H,6,9-13H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362382
PNG
(CHEMBL1939967)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1nc2ccccc2o1
Show InChI InChI=1S/C20H20N6O4S2/c27-18(8-9-21-32(28,29)17-7-3-5-15-19(17)24-31-23-15)25-10-12-26(13-11-25)20-22-14-4-1-2-6-16(14)30-20/h1-7,21H,8-13H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362381
PNG
(CHEMBL1939966)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1nc2ccccc2s1
Show InChI InChI=1S/C20H20N6O3S3/c27-18(8-9-21-32(28,29)17-7-3-5-15-19(17)24-31-23-15)25-10-12-26(13-11-25)20-22-14-4-1-2-6-16(14)30-20/h1-7,21H,8-13H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362380
PNG
(CHEMBL1939965)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1nccs1
Show InChI InChI=1S/C16H18N6O3S3/c23-14(21-7-9-22(10-8-21)16-17-6-11-26-16)4-5-18-28(24,25)13-3-1-2-12-15(13)20-27-19-12/h1-3,6,11,18H,4-5,7-10H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362379
PNG
(CHEMBL1939964)
Show SMILES Clc1cnc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C17H18ClN7O3S2/c18-12-10-19-17(20-11-12)25-8-6-24(7-9-25)15(26)4-5-21-30(27,28)14-3-1-2-13-16(14)23-29-22-13/h1-3,10-11,21H,4-9H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362378
PNG
(CHEMBL1939963)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C17H19N7O3S2/c25-15(23-9-11-24(12-10-23)17-18-6-2-7-19-17)5-8-20-29(26,27)14-4-1-3-13-16(14)22-28-21-13/h1-4,6-7,20H,5,8-12H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362376
PNG
(CHEMBL1939961)
Show SMILES Cc1cccc(n1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C19H22N6O3S2/c1-14-4-2-7-17(21-14)24-10-12-25(13-11-24)18(26)8-9-20-30(27,28)16-6-3-5-15-19(16)23-29-22-15/h2-7,20H,8-13H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362375
PNG
(CHEMBL1939960)
Show SMILES Cc1ccnc(c1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C19H22N6O3S2/c1-14-5-7-20-17(13-14)24-9-11-25(12-10-24)18(26)6-8-21-30(27,28)16-4-2-3-15-19(16)23-29-22-15/h2-5,7,13,21H,6,8-12H2,1H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362374
PNG
(CHEMBL1939959)
Show SMILES Clc1cccc(n1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C18H19ClN6O3S2/c19-15-5-2-6-16(21-15)24-9-11-25(12-10-24)17(26)7-8-20-30(27,28)14-4-1-3-13-18(14)23-29-22-13/h1-6,20H,7-12H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362373
PNG
(CHEMBL1939958)
Show SMILES Fc1cccc(n1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C18H19FN6O3S2/c19-15-5-2-6-16(21-15)24-9-11-25(12-10-24)17(26)7-8-20-30(27,28)14-4-1-3-13-18(14)23-29-22-13/h1-6,20H,7-12H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362371
PNG
(CHEMBL1531873)
Show SMILES O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C18H20N6O3S2/c25-17(24-12-10-23(11-13-24)16-6-1-2-8-19-16)7-9-20-29(26,27)15-5-3-4-14-18(15)22-28-21-14/h1-6,8,20H,7,9-13H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362370
PNG
(CHEMBL1939956)
Show SMILES Clc1cc(ccn1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C18H19ClN6O3S2/c19-16-12-13(4-6-20-16)24-8-10-25(11-9-24)17(26)5-7-21-30(27,28)15-3-1-2-14-18(15)23-29-22-14/h1-4,6,12,21H,5,7-11H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362369
PNG
(CHEMBL1939955)
Show SMILES Fc1cc(ccn1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12
Show InChI InChI=1S/C18H19FN6O3S2/c19-16-12-13(4-6-20-16)24-8-10-25(11-9-24)17(26)5-7-21-30(27,28)15-3-1-2-14-18(15)23-29-22-14/h1-4,6,12,21H,5,7-11H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50362385
PNG
(CHEMBL1939970)
Show SMILES Cc1ccc2nonc2c1S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccc(Br)cn1
Show InChI InChI=1S/C19H21BrN6O4S/c1-13-2-4-15-18(24-30-23-15)19(13)31(28,29)22-7-6-17(27)26-10-8-25(9-11-26)16-5-3-14(20)12-21-16/h2-5,12,22H,6-11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M1 receptor expressed in CHO cells assessed as inhibition of acetylcholine-induced calcium mobilization by fl...


Bioorg Med Chem Lett 22: 1044-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.110
BindingDB Entry DOI: 10.7270/Q2XS5VVC
More data for this
Ligand-Target Pair
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