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Compile Data Set for Download or QSAR

Found 15 hits of ec50 for monomerid = 50258656   
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 M5


(RAT)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 0.263n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor assessed as effect on acetylcholine-induced response


Bioorg Med Chem Lett 23: 2996-3000 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.032
BindingDB Entry DOI: 10.7270/Q2H41ST9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 0.263n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor assessed as effect on acetylcholine-induced response


Bioorg Med Chem Lett 23: 2996-3000 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.032
BindingDB Entry DOI: 10.7270/Q2H41ST9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 0.512n/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/Q290226P
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 4.60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor


Bioorg Med Chem Lett 23: 2996-3000 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.032
BindingDB Entry DOI: 10.7270/Q2H41ST9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(RAT)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 4.60n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of rat muscarinic M5 receptor


Bioorg Med Chem Lett 23: 2996-3000 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.032
BindingDB Entry DOI: 10.7270/Q2H41ST9
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 210n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2CR5RSX
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M5


(Homo sapiens (Human))
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 1.10E+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 M5


(Homo sapiens (Human))
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 1.16E+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 M5


(Homo sapiens (Human))
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 1.20E+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 M5


(Homo sapiens (Human))
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 1.71E+3n/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 (2009)


BindingDB Entry DOI: 10.7270/Q2S180X7
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(RAT)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
PDB

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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 M2 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 M4


(RAT)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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
Agonist activity at rat muscarinic M4 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)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 M3


(Homo sapiens (Human))
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 human muscarinic M3 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)
BDBM50258656
PNG
(1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2...)
Show SMILES COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Show InChI InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(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 6.26E+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