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3 similar compounds to monomer 50420681

Compile data set for download or QSAR
Wt: 329.4
BDBM50420680
Wt: 321.3
BDBM50420658
Wt: 287.7
BDBM50420679

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50420680,50420658,50420679   
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
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50420658
PNG
(CHEMBL2087053)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18F3NO/c1-11(2)15-9-4-12(3)10-16(15)17(23)22-14-7-5-13(6-8-14)18(19,20)21/h4-11H,1-3H3,(H,22,23)
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n/an/an/an/a 4.58E+4n/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Activation of rat TRPM8 expressed in HEK293 cells assessed as stimulation of intracellular Ca2+ levels


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50420679
PNG
(CHEMBL2087055)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClNO/c1-11(2)15-9-4-12(3)10-16(15)17(20)19-14-7-5-13(18)6-8-14/h4-11H,1-3H3,(H,19,20)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of rat TRPM8 expressed in HEK293 cells assessed as reduction in 20 uM menthol-stimulated increase in intracellular Ca2+ levels


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50420680
PNG
(CHEMBL2087054)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H23NO/c1-16(2)21-14-9-17(3)15-22(21)23(25)24-20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-16H,1-3H3,(H,24,25)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of rat TRPM8 expressed in HEK293 cells assessed as reduction in 20 uM menthol-stimulated increase in intracellular Ca2+ levels


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50420658
PNG
(CHEMBL2087053)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18F3NO/c1-11(2)15-9-4-12(3)10-16(15)17(23)22-14-7-5-13(6-8-14)18(19,20)21/h4-11H,1-3H3,(H,22,23)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of rat TRPM8 expressed in HEK293 cells assessed as reduction in 20 uM menthol-stimulated increase in intracellular Ca2+ levels


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50420679
PNG
(CHEMBL2087055)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClNO/c1-11(2)15-9-4-12(3)10-16(15)17(20)19-14-7-5-13(18)6-8-14/h4-11H,1-3H3,(H,19,20)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of rat TRPM8 expressed in HEK293 cells assessed as reduction in 0.25 uM icilin-stimulated increase in intracellular Ca2+ levels


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50420680
PNG
(CHEMBL2087054)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H23NO/c1-16(2)21-14-9-17(3)15-22(21)23(25)24-20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-16H,1-3H3,(H,24,25)
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n/an/a 1.23E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of rat TRPM8 expressed in HEK293 cells assessed as reduction in 0.25 uM icilin-stimulated increase in intracellular Ca2+ levels


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50420658
PNG
(CHEMBL2087053)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18F3NO/c1-11(2)15-9-4-12(3)10-16(15)17(23)22-14-7-5-13(6-8-14)18(19,20)21/h4-11H,1-3H3,(H,22,23)
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n/an/an/an/a 3.90E+3n/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Activation of rat TRPA1 expressed in HEK293 cells assessed as stimulation of intracellular Ca2+ levels


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50420679
PNG
(CHEMBL2087055)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClNO/c1-11(2)15-9-4-12(3)10-16(15)17(20)19-14-7-5-13(18)6-8-14/h4-11H,1-3H3,(H,19,20)
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n/an/an/an/a 850n/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Activation of rat TRPM8 expressed in HEK293 cells assessed as stimulation of intracellular Ca2+ levels


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50420679
PNG
(CHEMBL2087055)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClNO/c1-11(2)15-9-4-12(3)10-16(15)17(20)19-14-7-5-13(18)6-8-14/h4-11H,1-3H3,(H,19,20)
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n/an/a 2.62E+4n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of rat TRPA1 expressed in HEK293 cells assessed as reduction in 100 uM allyl isothiocyanate-stimulated increase in intracellular Ca2+ leve...


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50420680
PNG
(CHEMBL2087054)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H23NO/c1-16(2)21-14-9-17(3)15-22(21)23(25)24-20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-16H,1-3H3,(H,24,25)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of rat TRPA1 expressed in HEK293 cells assessed as reduction in 100 uM allyl isothiocyanate-stimulated increase in intracellular Ca2+ leve...


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50420658
PNG
(CHEMBL2087053)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18F3NO/c1-11(2)15-9-4-12(3)10-16(15)17(23)22-14-7-5-13(6-8-14)18(19,20)21/h4-11H,1-3H3,(H,22,23)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of rat TRPA1 expressed in HEK293 cells assessed as reduction in 100 uM allyl isothiocyanate-stimulated increase in intracellular Ca2+ leve...


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)
BDBM50420680
PNG
(CHEMBL2087054)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H23NO/c1-16(2)21-14-9-17(3)15-22(21)23(25)24-20-12-10-19(11-13-20)18-7-5-4-6-8-18/h4-16H,1-3H3,(H,24,25)
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n/an/an/an/a 1.11E+4n/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Activation of rat TRPA1 expressed in HEK293 cells assessed as stimulation of intracellular Ca2+ levels


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair
Transient receptor potential M8 protein (TRPM8)


(Rattus norvegicus (Rat))
BDBM50420658
PNG
(CHEMBL2087053)
Show SMILES CC(C)c1ccc(C)cc1C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C18H18F3NO/c1-11(2)15-9-4-12(3)10-16(15)17(23)22-14-7-5-13(6-8-14)18(19,20)21/h4-11H,1-3H3,(H,22,23)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Sapienza University of Rome

Curated by ChEMBL


Assay Description
Inhibition of rat TRPM8 expressed in HEK293 cells assessed as reduction in 0.25 uM icilin-stimulated increase in intracellular Ca2+ levels


Bioorg Med Chem Lett 22: 3535-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.055
BindingDB Entry DOI: 10.7270/Q2M61MJ8
More data for this
Ligand-Target Pair