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24 similar compounds to monomer 50258656

Compile data set for download or QSAR
Wt: 281.3
BDBM50133632		Wt: 267.2
BDBM50222912Purchase		Wt: 351.2
BDBM50258610		Wt: 405.2
BDBM50258436		Wt: 335.2
BDBM50258437
Wt: 418.1
BDBM50258438		Wt: 389.2
BDBM50258753		Wt: 355.6
BDBM50258754		Wt: 413.3
BDBM50305817		Wt: 397.3
BDBM50305818Purchase
Wt: 403.3
BDBM50305819		Wt: 401.3
BDBM50305822		Wt: 427.3
BDBM50305823		Wt: 351.2
BDBM50305824		Wt: 397.3
BDBM50305825
Displayed 1 to 15 (of 24 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50133632,50222912,50258610,50258436,50258437,50258438,50258753,50258754,50305817,50305818,50305819,50305822,50305823,50305824,50305825   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50305818
PNG
(1-(biphenyl-4-ylmethyl)-5-(trifluoromethoxy)indoli...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
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n/an/an/an/a 4.42E-7n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...

PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12255
BindingDB Entry DOI: 10.7270/Q290226P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50305817
PNG
(1-(4-phenoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4ccccc4)cc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO4/c23-22(24,25)30-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)29-15-4-2-1-3-5-15/h1-12H,13H2
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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 activity at muscarinic M5 receptor

J Med Chem 55: 1445-64 (2012)


Article DOI: 10.1021/jm201139r
BindingDB Entry DOI: 10.7270/Q25D8SWH
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50305817
PNG
(1-(4-phenoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4ccccc4)cc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO4/c23-22(24,25)30-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)29-15-4-2-1-3-5-15/h1-12H,13H2
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n/an/an/an/a 1.32E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K64GH0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50305819
PNG
(1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)in...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
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n/an/an/an/a 1.19E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K64GH0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50305824
PNG
(1-(4-methoxybenzyl)-6-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3ccc(OC(F)(F)F)cc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-8-12(25-17(18,19)20)6-7-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 1.03E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K64GH0
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50305825
PNG
(1-(biphenyl-4-ylmethyl)-6-(trifluoromethoxy)indoli...)
Show SMILES FC(F)(F)Oc1ccc2C(=O)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c2c1
Show InChI InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-18-19(12-17)26(21(28)20(18)27)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
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n/an/an/an/a 1.46E+4n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...

PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2K64GH0
More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens (Human))		BDBM50305818
PNG
(1-(biphenyl-4-ylmethyl)-5-(trifluoromethoxy)indoli...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
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n/an/a 3.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GCW
More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens (Human))		BDBM50305819
PNG
(1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)in...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
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n/an/a 2.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...

PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GCW
More data for this
Ligand-Target Pair
Falcipain-2


(Plasmodium falciparum)		BDBM50133632
PNG
(1-(3-Methoxy-benzyl)-5-methyl-1H-indole-2,3-dione ...)
Show SMILES COc1cccc(CN2C(=O)C(=O)c3cc(C)ccc23)c1
Show InChI InChI=1S/C17H15NO3/c1-11-6-7-15-14(8-11)16(19)17(20)18(15)10-12-4-3-5-13(9-12)21-2/h3-9H,10H2,1-2H3
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n/an/a 2.19E+4n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory activity was tested against Falcipain-2

Bioorg Med Chem Lett 13: 3527-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00756-x
BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
More data for this
Ligand-Target Pair
Cruzipain


(Trypanosoma cruzi)		BDBM50133632
PNG
(1-(3-Methoxy-benzyl)-5-methyl-1H-indole-2,3-dione ...)
Show SMILES COc1cccc(CN2C(=O)C(=O)c3cc(C)ccc23)c1
Show InChI InChI=1S/C17H15NO3/c1-11-6-7-15-14(8-11)16(19)17(20)18(15)10-12-4-3-5-13(9-12)21-2/h3-9H,10H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Cape Town

Curated by ChEMBL


Assay Description
Inhibitory activity against the Trypanosoma cruzi cysteine protease cruzain

Bioorg Med Chem Lett 13: 3527-30 (2003)


Article DOI: 10.1016/s0960-894x(03)00756-x
BindingDB Entry DOI: 10.7270/Q2SQ8ZSX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50258753
PNG
(5-(trifluoromethoxy)-1-(4-(trifluoromethyl)benzyl)...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1
Show InChI InChI=1S/C17H9F6NO3/c18-16(19,20)10-3-1-9(2-4-10)8-24-13-6-5-11(27-17(21,22)23)7-12(13)14(25)15(24)26/h1-7H,8H2
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n/an/an/an/a 7.09E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activation of rat muscarinic M1 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracellul...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50258753
PNG
(5-(trifluoromethoxy)-1-(4-(trifluoromethyl)benzyl)...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1
Show InChI InChI=1S/C17H9F6NO3/c18-16(19,20)10-3-1-9(2-4-10)8-24-13-6-5-11(27-17(21,22)23)7-12(13)14(25)15(24)26/h1-7H,8H2
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n/an/an/an/a 1.85E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activation of human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracell...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50258754
PNG
(1-(2-chlorobenzyl)-5-(trifluoromethoxy)indoline-2,...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccccc3Cl)C(=O)C(=O)c2c1
Show InChI InChI=1S/C16H9ClF3NO3/c17-12-4-2-1-3-9(12)8-21-13-6-5-10(24-16(18,19)20)7-11(13)14(22)15(21)23/h1-7H,8H2
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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
Activation of rat muscarinic M1 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracellul...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50258754
PNG
(1-(2-chlorobenzyl)-5-(trifluoromethoxy)indoline-2,...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccccc3Cl)C(=O)C(=O)c2c1
Show InChI InChI=1S/C16H9ClF3NO3/c17-12-4-2-1-3-9(12)8-21-13-6-5-10(24-16(18,19)20)7-11(13)14(22)15(21)23/h1-7H,8H2
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n/an/an/an/a 4.07E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activation of human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracell...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50258436
PNG
(5-(trifluoromethoxy)-1-(4-(trifluoromethoxy)benzyl...)
Show SMILES FC(F)(F)Oc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H9F6NO4/c18-16(19,20)27-10-3-1-9(2-4-10)8-24-13-6-5-11(28-17(21,22)23)7-12(13)14(25)15(24)26/h1-7H,8H2
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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
Activation of rat muscarinic M1 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracellul...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50258436
PNG
(5-(trifluoromethoxy)-1-(4-(trifluoromethoxy)benzyl...)
Show SMILES FC(F)(F)Oc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H9F6NO4/c18-16(19,20)27-10-3-1-9(2-4-10)8-24-13-6-5-11(28-17(21,22)23)7-12(13)14(25)15(24)26/h1-7H,8H2
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n/an/an/an/a 1.86E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activation of human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracell...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50258437
PNG
(1-(2-methylbenzyl)-5-(trifluoromethoxy)indoline-2,...)
Show SMILES Cc1ccccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C17H12F3NO3/c1-10-4-2-3-5-11(10)9-21-14-7-6-12(24-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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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
Activation of rat muscarinic M1 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracellul...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50258437
PNG
(1-(2-methylbenzyl)-5-(trifluoromethoxy)indoline-2,...)
Show SMILES Cc1ccccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C17H12F3NO3/c1-10-4-2-3-5-11(10)9-21-14-7-6-12(24-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 3.28E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Activation of human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracell...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50258438
PNG
(1-(4-bromo-2-fluorobenzyl)-5-(trifluoromethoxy)ind...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C16H8BrF4NO3/c17-9-2-1-8(12(18)5-9)7-22-13-4-3-10(25-16(19,20)21)6-11(13)14(23)15(22)24/h1-6H,7H2
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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
Activation of rat muscarinic M1 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracellul...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50258438
PNG
(1-(4-bromo-2-fluorobenzyl)-5-(trifluoromethoxy)ind...)
Show SMILES Fc1cc(Br)ccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12
Show InChI InChI=1S/C16H8BrF4NO3/c17-9-2-1-8(12(18)5-9)7-22-13-4-3-10(25-16(19,20)21)6-11(13)14(23)15(22)24/h1-6H,7H2
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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
Activation of human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracell...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50222912
PNG
(1-(4-methoxybenzyl)indoline-2,3-dione | CHEMBL3878...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C16H13NO3/c1-20-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)15(18)16(17)19/h2-9H,10H2,1H3
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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
Activation of rat muscarinic M1 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracellul...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50222912
PNG
(1-(4-methoxybenzyl)indoline-2,3-dione | CHEMBL3878...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C16H13NO3/c1-20-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)15(18)16(17)19/h2-9H,10H2,1H3
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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
Activation of human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracell...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50258610
PNG
(1-(3-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1cccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)c1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-3-10(7-11)9-21-14-6-5-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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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
Activation of rat muscarinic M1 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracellul...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50258610
PNG
(1-(3-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1cccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)c1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-3-10(7-11)9-21-14-6-5-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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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
Activation of human muscarinic M5 receptor expressed in CHO cells coexpressing Gq protein assessed as potentiation of acetylcholine-induced intracell...

J Med Chem 52: 3445-8 (2009)


Article DOI: 10.1021/jm900286j
BindingDB Entry DOI: 10.7270/Q23B601Q
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50305817
PNG
(1-(4-phenoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(Oc4ccccc4)cc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO4/c23-22(24,25)30-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)29-15-4-2-1-3-5-15/h1-12H,13H2
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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
Agonist activity at human muscarinic M5 expressed in CHO cells assessed as stimulation of calcium mobilization

Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50305818
PNG
(1-(biphenyl-4-ylmethyl)-5-(trifluoromethoxy)indoli...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
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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
Agonist activity at rat muscarinic M1 expressed in CHO cells assessed as stimulation of calcium mobilization

Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50305819
PNG
(1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)in...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
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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
Agonist activity at rat muscarinic M1 expressed in CHO cells assessed as stimulation of calcium mobilization

Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50305822
PNG
(1-(4-(1-methyl-1H-pyrazol-4-yl)benzyl)-5-(trifluor...)
Show SMILES Cn1cc(cn1)-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C20H14F3N3O3/c1-25-11-14(9-24-25)13-4-2-12(3-5-13)10-26-17-7-6-15(29-20(21,22)23)8-16(17)18(27)19(26)28/h2-9,11H,10H2,1H3
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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
Agonist activity at rat muscarinic M1 expressed in CHO cells assessed as stimulation of calcium mobilization

Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(RAT)		BDBM50305823
PNG
(1-((2'-methoxybiphenyl-4-yl)methyl)-5-(trifluorome...)
Show SMILES COc1ccccc1-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C23H16F3NO4/c1-30-20-5-3-2-4-17(20)15-8-6-14(7-9-15)13-27-19-11-10-16(31-23(24,25)26)12-18(19)21(28)22(27)29/h2-12H,13H2,1H3
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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
Agonist activity at rat muscarinic M1 expressed in CHO cells assessed as stimulation of calcium mobilization

Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50305818
PNG
(1-(biphenyl-4-ylmethyl)-5-(trifluoromethoxy)indoli...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
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n/an/an/an/a 2.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 expressed in CHO cells assessed as stimulation of calcium mobilization

Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50305819
PNG
(1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)in...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
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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
Agonist activity at human muscarinic M5 expressed in CHO cells assessed as stimulation of calcium mobilization

Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50305822
PNG
(1-(4-(1-methyl-1H-pyrazol-4-yl)benzyl)-5-(trifluor...)
Show SMILES Cn1cc(cn1)-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C20H14F3N3O3/c1-25-11-14(9-24-25)13-4-2-12(3-5-13)10-26-17-7-6-15(29-20(21,22)23)8-16(17)18(27)19(26)28/h2-9,11H,10H2,1H3
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n/an/an/an/a 3.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 expressed in CHO cells assessed as stimulation of calcium mobilization

Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50305823
PNG
(1-((2'-methoxybiphenyl-4-yl)methyl)-5-(trifluorome...)
Show SMILES COc1ccccc1-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C23H16F3NO4/c1-30-20-5-3-2-4-17(20)15-8-6-14(7-9-15)13-27-19-11-10-16(31-23(24,25)26)12-18(19)21(28)22(27)29/h2-12H,13H2,1H3
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n/an/an/an/a 3.90E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 expressed in CHO cells assessed as stimulation of calcium mobilization

Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50305824
PNG
(1-(4-methoxybenzyl)-6-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3ccc(OC(F)(F)F)cc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-8-12(25-17(18,19)20)6-7-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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n/an/an/an/a 5.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 expressed in CHO cells assessed as stimulation of calcium mobilization

Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50305825
PNG
(1-(biphenyl-4-ylmethyl)-6-(trifluoromethoxy)indoli...)
Show SMILES FC(F)(F)Oc1ccc2C(=O)C(=O)N(Cc3ccc(cc3)-c3ccccc3)c2c1
Show InChI InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-18-19(12-17)26(21(28)20(18)27)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
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n/an/an/an/a 2.70E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at human muscarinic M5 expressed in CHO cells assessed as stimulation of calcium mobilization

Bioorg Med Chem Lett 20: 558-62 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.089
BindingDB Entry DOI: 10.7270/Q2PK0G7M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50305818
PNG
(1-(biphenyl-4-ylmethyl)-5-(trifluoromethoxy)indoli...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C22H14F3NO3/c23-22(24,25)29-17-10-11-19-18(12-17)20(27)21(28)26(19)13-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-12H,13H2
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n/an/an/an/a 1.60E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of muscarinic M5 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium mob...

Bioorg Med Chem Lett 20: 5617-22 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.042
BindingDB Entry DOI: 10.7270/Q2CR5TK2
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens (Human))		BDBM50305819
PNG
(1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)in...)
Show SMILES FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
Show InChI InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
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n/an/an/an/a 4.42E-7n/an/an/an/a



Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters

Curated by PubChem BioAssay


Assay Description
Assay Provider: P. Jeffrey Conn Assay Provider Affiliation: Vanderbilt University Muscarinic acetylcholine receptors are family A GPCRs comprised of...

PubChem Bioassay (2010)


Article DOI: 10.1111/cbdd.12255
BindingDB Entry DOI: 10.7270/Q290226P
More data for this
Ligand-Target Pair