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3 similar compounds to monomer 50313639

Compile data set for download or QSAR
Wt: 401.3
BDBM50305822
Wt: 335.3
BDBM50313633
Wt: 353.3
BDBM50313634

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50305822,50313633,50313634   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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


(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 M5


(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


(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 modulation activity at muscarinic M1 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


(Homo sapiens (Human))
BDBM50313634
PNG
(1-(2,6-difluoro-4-(1-methyl-1H-pyrazol-4-yl)benzyl...)
Show SMILES Cn1cc(cn1)-c1cc(F)c(CN2C(=O)C(=O)c3ccccc23)c(F)c1
Show InChI InChI=1S/C19H13F2N3O2/c1-23-9-12(8-22-23)11-6-15(20)14(16(21)7-11)10-24-17-5-3-2-4-13(17)18(25)19(24)26/h2-9H,10H2,1H3
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n/an/an/an/a 860n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Potentiation of muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium mobilization after 1 ...


Bioorg Med Chem Lett 20: 1972-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.109
BindingDB Entry DOI: 10.7270/Q2057G2P
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 600n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human muscarinic M1 receptor


Bioorg Med Chem Lett 23: 1860-4 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.017
BindingDB Entry DOI: 10.7270/Q2Z60QDF
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 600n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human muscarinic M1 receptor by calcium mobilization assay


Bioorg Med Chem Lett 23: 412-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.11.092
BindingDB Entry DOI: 10.7270/Q2PN96ZT
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
Potentiation of muscarinic M1 receptor expressed in CHO cells assessed as effect on acetylcholine-induced intracellular calcium mobilization after 1 ...


Bioorg Med Chem Lett 20: 1972-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.109
BindingDB Entry DOI: 10.7270/Q2057G2P
More data for this
Ligand-Target Pair