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Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'fernandez-carvajal' and Initial = 'a'   
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
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50465610
PNG
(CHEMBL4295040)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3/t25-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced channel currents by whole cell patch clamp method


J Med Chem 61: 6140-6152 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50465611
PNG
(CHEMBL4284808)
Show SMILES C(Cc1c[nH]c2ccccc12)N(CC1CCCCC1)Cc1ccccc1
Show InChI InChI=1S/C24H30N2/c1-3-9-20(10-4-1)18-26(19-21-11-5-2-6-12-21)16-15-22-17-25-24-14-8-7-13-23(22)24/h1,3-4,7-10,13-14,17,21,25H,2,5-6,11-12,15-16,18-19H2
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n/an/a 3.5n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced channel currents by whole cell patch clamp method


J Med Chem 61: 6140-6152 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50544523
PNG
(CHEMBL4647674)
Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)N(Cc1ccc(F)cc1)C2=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H19ClFN3O2/c27-17-9-7-16(8-10-17)24-23-20(19-3-1-2-4-21(19)29-23)13-22-25(32)30(26(33)31(22)24)14-15-5-11-18(28)12-6-15/h1-12,22,24,29H,13-14H2/t22-,24+/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50544513
PNG
(CHEMBL4649088)
Show SMILES [H][C@@]12Cc3c(CN1C(=O)[C@@H](Cc1ccccc1)NC2=O)[nH]c1ccccc31 |r|
Show InChI InChI=1S/C21H19N3O2/c25-20-19-11-15-14-8-4-5-9-16(14)22-18(15)12-24(19)21(26)17(23-20)10-13-6-2-1-3-7-13/h1-9,17,19,22H,10-12H2,(H,23,25)/t17-,19+/m1/s1
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n/an/a 6.60n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50544531
PNG
(CHEMBL4648953)
Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@@H](N1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H17F4N3O2/c27-16-10-8-14(9-11-16)23-22-19(18-6-1-2-7-20(18)31-22)13-21-24(34)32(25(35)33(21)23)17-5-3-4-15(12-17)26(28,29)30/h1-12,21,23,31H,13H2/t21-,23-/m0/s1
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n/an/a 7.70n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50544501
PNG
(CHEMBL4647444)
Show SMILES COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N2O2/c1-30-26(29)23-16-21-20-14-8-9-15-22(20)27-24(21)25(19-12-6-3-7-13-19)28(23)17-18-10-4-2-5-11-18/h2-15,23,25,27H,16-17H2,1H3/t23-,25+/m0/s1
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KEGG

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n/an/a 12n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50544506
PNG
(CHEMBL4647464)
Show SMILES COC(=O)CC[C@H]1N[C@@H](Cc2c1[nH]c1ccccc21)C(=O)NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24FN3O3/c1-30-21(28)11-10-19-22-17(16-4-2-3-5-18(16)27-22)12-20(26-19)23(29)25-13-14-6-8-15(24)9-7-14/h2-9,19-20,26-27H,10-13H2,1H3,(H,25,29)/t19-,20+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50544503
PNG
(CHEMBL4644158)
Show SMILES Fc1ccc(CNC(=O)[C@@H]2Cc3c(CN2)[nH]c2ccccc32)cc1 |r|
Show InChI InChI=1S/C19H18FN3O/c20-13-7-5-12(6-8-13)10-22-19(24)17-9-15-14-3-1-2-4-16(14)23-18(15)11-21-17/h1-8,17,21,23H,9-11H2,(H,22,24)/t17-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 expressed in HEK-293/TRPM8 exon1 K3 cells assessed as inhibition of menthol-induced current response by whole-cell...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50465610
PNG
(CHEMBL4295040)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3/t25-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced calcium flux incubated for 60 mins by Fluo-4 NW-d...


J Med Chem 61: 6140-6152 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592161
PNG
(CHEMBL5198220)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)N(Cc1ccccc1)Cc1ccccc1 |r|
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n/an/a 60n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544500
PNG
(CHEMBL4649195)
Show SMILES COC(=O)C(Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3
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n/an/a 90n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50461837
PNG
(CHEMBL4226608)
Show SMILES [#6]-[#8]-c1cc(-[#6]-[#7]-[#6](=O)-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(I)cc1-[#8]
Show InChI InChI=1S/C20H26INO5/c1-13(2)6-5-7-14(3)8-20(25)27-12-19(24)22-11-15-9-18(26-4)17(23)10-16(15)21/h6,8-10,23H,5,7,11-12H2,1-4H3,(H,22,24)/b14-8+
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n/an/a 90n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 (unknown origin) expressed in human SH-SY5Y cells assessed as inhibition of capsaicin-induced calcium increase after 25 ...


J Med Chem 61: 4436-4455 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00109
BindingDB Entry DOI: 10.7270/Q2PK0JSM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592164
PNG
(CHEMBL5208212)
Show SMILES COC(=O)[C@H](Cc1ccc(O)c(O)c1)N(Cc1ccccc1)Cc1ccccc1 |r|
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n/an/a 100n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592165
PNG
(CHEMBL5198707)
Show SMILES COC(=O)[C@H](Cc1ccc(N)cc1)N(Cc1ccccc1)Cc1ccccc1 |r|
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n/an/a 110n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592161
PNG
(CHEMBL5198220)
Show SMILES COC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)N(Cc1ccccc1)Cc1ccccc1 |r|
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n/an/a 110n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544531
PNG
(CHEMBL4648953)
Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@@H](N1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H17F4N3O2/c27-16-10-8-14(9-11-16)23-22-19(18-6-1-2-7-20(18)31-22)13-21-24(34)32(25(35)33(21)23)17-5-3-4-15(12-17)26(28,29)30/h1-12,21,23,31H,13H2/t21-,23-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592165
PNG
(CHEMBL5198707)
Show SMILES COC(=O)[C@H](Cc1ccc(N)cc1)N(Cc1ccccc1)Cc1ccccc1 |r|
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n/an/a 210n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592163
PNG
(CHEMBL5169807)
Show SMILES COC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1 |r|
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n/an/a 250n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592159
PNG
(CHEMBL5193429)
Show SMILES COC(=O)[C@H](Cc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 |r|
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n/an/a 280n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592160
PNG
(CHEMBL5182352)
Show SMILES COC(=O)[C@H](Cc1ccc(C)cc1)N(Cc1ccccc1)Cc1ccccc1 |r|
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n/an/a 290n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592162
PNG
(CHEMBL5205458)
Show SMILES COC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 |r|
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n/an/a 320n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544513
PNG
(CHEMBL4649088)
Show SMILES [H][C@@]12Cc3c(CN1C(=O)[C@@H](Cc1ccccc1)NC2=O)[nH]c1ccccc31 |r|
Show InChI InChI=1S/C21H19N3O2/c25-20-19-11-15-14-8-4-5-9-16(14)22-18(15)12-24(19)21(26)17(23-20)10-13-6-2-1-3-7-13/h1-9,17,19,22H,10-12H2,(H,23,25)/t17-,19+/m1/s1
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n/an/a 400n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50133817
PNG
(4-(3-Chloro-pyridin-2-yl)-piperazine-1-carboxylic ...)
Show SMILES CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1
Show InChI InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
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Article
PubMed
n/an/a 475n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at TRPM8 (unknown origin) assessed as reduction in menthol-induced calcium influx


J Med Chem 61: 6140-6152 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592164
PNG
(CHEMBL5208212)
Show SMILES COC(=O)[C@H](Cc1ccc(O)c(O)c1)N(Cc1ccccc1)Cc1ccccc1 |r|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544523
PNG
(CHEMBL4647674)
Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)N(Cc1ccc(F)cc1)C2=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C26H19ClFN3O2/c27-17-9-7-16(8-10-17)24-23-20(19-3-1-2-4-21(19)29-23)13-22-25(32)30(26(33)31(22)24)14-15-5-11-18(28)12-6-15/h1-12,22,24,29H,13-14H2/t22-,24+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50465611
PNG
(CHEMBL4284808)
Show SMILES C(Cc1c[nH]c2ccccc12)N(CC1CCCCC1)Cc1ccccc1
Show InChI InChI=1S/C24H30N2/c1-3-9-20(10-4-1)18-26(19-21-11-5-2-6-12-21)16-15-22-17-25-24-14-8-7-13-23(22)24/h1,3-4,7-10,13-14,17,21,25H,2,5-6,11-12,15-16,18-19H2
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University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced calcium flux incubated for 60 mins by Fluo-4 NW-d...


J Med Chem 61: 6140-6152 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544521
PNG
(CHEMBL4634053)
Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)N(Cc1ccc(C)cc1)C2=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H22ClN3O2/c1-16-6-8-17(9-7-16)15-30-26(32)23-14-21-20-4-2-3-5-22(20)29-24(21)25(31(23)27(30)33)18-10-12-19(28)13-11-18/h2-13,23,25,29H,14-15H2,1H3/t23-,25+/m0/s1
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University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592157
PNG
(CHEMBL5193818)
Show SMILES Oc1cc2C[C@H](N[C@H](c3ccc(F)cc3)c2cc1O)C(=O)NCc1ccc(F)cc1 |r|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50465615
PNG
(CHEMBL4282067)
Show SMILES COC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)Cc1ccccc1 |r|
Show InChI InChI=1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3/t25-/m1/s1
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n/an/a 865n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced channel currents by whole cell patch clamp method


J Med Chem 61: 6140-6152 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544501
PNG
(CHEMBL4647444)
Show SMILES COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N2O2/c1-30-26(29)23-16-21-20-14-8-9-15-22(20)27-24(21)25(19-12-6-3-7-13-19)28(23)17-18-10-4-2-5-11-18/h2-15,23,25,27H,16-17H2,1H3/t23-,25+/m0/s1
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University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544503
PNG
(CHEMBL4644158)
Show SMILES Fc1ccc(CNC(=O)[C@@H]2Cc3c(CN2)[nH]c2ccccc32)cc1 |r|
Show InChI InChI=1S/C19H18FN3O/c20-13-7-5-12(6-8-13)10-22-19(24)17-9-15-14-3-1-2-4-16(14)23-18(15)11-21-17/h1-8,17,21,23H,9-11H2,(H,22,24)/t17-/m0/s1
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University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50461844
PNG
(CHEMBL4227926)
Show SMILES CCCCCCCCCCCC(=O)OCC(=O)NCc1cc(OC)c(O)cc1I
Show InChI InChI=1S/C22H34INO5/c1-3-4-5-6-7-8-9-10-11-12-22(27)29-16-21(26)24-15-17-13-20(28-2)19(25)14-18(17)23/h13-14,25H,3-12,15-16H2,1-2H3,(H,24,26)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 (unknown origin) expressed in human SH-SY5Y cells assessed as inhibition of capsaicin-induced calcium increase after 25 ...


J Med Chem 61: 4436-4455 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00109
BindingDB Entry DOI: 10.7270/Q2PK0JSM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544506
PNG
(CHEMBL4647464)
Show SMILES COC(=O)CC[C@H]1N[C@@H](Cc2c1[nH]c1ccccc21)C(=O)NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24FN3O3/c1-30-21(28)11-10-19-22-17(16-4-2-3-5-18(16)27-22)12-20(26-19)23(29)25-13-14-6-8-15(24)9-7-14/h2-9,19-20,26-27H,10-13H2,1H3,(H,25,29)/t19-,20+/m1/s1
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University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592155
PNG
(CHEMBL5203685)
Show SMILES [H][C@@]12Cc3cc(O)c(O)cc3[C@H](N1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1 |r|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544515
PNG
(CHEMBL4645828)
Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@H](CC(C)C)N1C(=O)[C@H](Cc1ccccc1)NC2=O |r|
Show InChI InChI=1S/C25H27N3O2/c1-15(2)12-21-23-18(17-10-6-7-11-19(17)26-23)14-22-24(29)27-20(25(30)28(21)22)13-16-8-4-3-5-9-16/h3-11,15,20-22,26H,12-14H2,1-2H3,(H,27,29)/t20-,21-,22-/m0/s1
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University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50461847
PNG
(CHEMBL4226335)
Show SMILES CCCCCCCC(=O)OCC(=O)NCc1cc(OC)c(O)cc1I
Show InChI InChI=1S/C18H26INO5/c1-3-4-5-6-7-8-18(23)25-12-17(22)20-11-13-9-16(24-2)15(21)10-14(13)19/h9-10,21H,3-8,11-12H2,1-2H3,(H,20,22)
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 (unknown origin) expressed in human SH-SY5Y cells assessed as inhibition of capsaicin-induced calcium increase after 25 ...


J Med Chem 61: 4436-4455 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00109
BindingDB Entry DOI: 10.7270/Q2PK0JSM
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544516
PNG
(CHEMBL4643039)
Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CNC2=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H16ClN3O2/c21-12-7-5-11(6-8-12)19-18-14(13-3-1-2-4-15(13)23-18)9-16-20(26)22-10-17(25)24(16)19/h1-8,16,19,23H,9-10H2,(H,22,26)/t16-,19+/m0/s1
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University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50465618
PNG
(CHEMBL4291622)
Show SMILES O=C(CN1CCc2c([nH]c3ccccc23)C1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H22N2O/c28-23(18-9-3-1-4-10-18)17-27-16-15-21-20-13-7-8-14-22(20)26-24(21)25(27)19-11-5-2-6-12-19/h1-14,25-26H,15-17H2
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University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced calcium flux incubated for 60 mins by Fluo-4 NW-d...


J Med Chem 61: 6140-6152 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544512
PNG
(CHEMBL229543)
Show SMILES [H][C@@]12Cc3c(CN1C(=O)[C@H](Cc1ccccc1)NC2=O)[nH]c1ccccc31
Show InChI InChI=1S/C21H19N3O2/c25-20-19-11-15-14-8-4-5-9-16(14)22-18(15)12-24(19)21(26)17(23-20)10-13-6-2-1-3-7-13/h1-9,17,19,22H,10-12H2,(H,23,25)/t17-,19-/m0/s1
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University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544502
PNG
(CHEMBL4634045)
Show SMILES COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](N1Cc1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C26H24N2O2/c1-30-26(29)23-16-21-20-14-8-9-15-22(20)27-24(21)25(19-12-6-3-7-13-19)28(23)17-18-10-4-2-5-11-18/h2-15,23,25,27H,16-17H2,1H3/t23-,25-/m0/s1
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University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592153
PNG
(CHEMBL5176697)
Show SMILES [H][C@@]12Cc3cc(O)c(O)cc3[C@H](N1C(=O)N(Cc1ccc(F)cc1)C2=O)c1ccc(F)cc1 |r|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544517
PNG
(CHEMBL4641209)
Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@@H](N1C(=O)CNC2=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H16ClN3O2/c21-12-7-5-11(6-8-12)19-18-14(13-3-1-2-4-15(13)23-18)9-16-20(26)22-10-17(25)24(16)19/h1-8,16,19,23H,9-10H2,(H,22,26)/t16-,19-/m0/s1
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University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50465619
PNG
(CHEMBL4287812)
Show SMILES C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)N(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C31H30N2O/c1-4-10-25(11-5-1)22-33(23-26-12-6-2-7-13-26)19-18-28-21-32-31-17-16-29(20-30(28)31)34-24-27-14-8-3-9-15-27/h1-17,20-21,32H,18-19,22-24H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced calcium flux incubated for 60 mins by Fluo-4 NW-d...


J Med Chem 61: 6140-6152 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592156
PNG
(CHEMBL5206192)
Show SMILES [H][C@]12Cc3cc(O)c(O)cc3[C@@H](N1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1 |r|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50592154
PNG
(CHEMBL5173566)
Show SMILES [H][C@]12Cc3cc(O)c(O)cc3[C@@H](N1C(=O)N(Cc1ccc(F)cc1)C2=O)c1ccc(F)cc1 |r|
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Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114435
BindingDB Entry DOI: 10.7270/Q2ZP4B36
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50465614
PNG
(CHEMBL4292679)
Show SMILES [O-][N+](=O)c1ccc(Sc2[nH]c3ccccc3c2CCN(Cc2ccccc2)Cc2ccccc2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C30H26N4O4S/c35-33(36)24-15-16-29(28(19-24)34(37)38)39-30-26(25-13-7-8-14-27(25)31-30)17-18-32(20-22-9-3-1-4-10-22)21-23-11-5-2-6-12-23/h1-16,19,31H,17-18,20-21H2
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as reduction in menthol-induced calcium flux incubated for 60 mins by Fluo-4 NW-d...


J Med Chem 61: 6140-6152 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00545
BindingDB Entry DOI: 10.7270/Q2FN18V3
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544522
PNG
(CHEMBL4637725)
Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@@H](N1C(=O)N(Cc1ccc(C)cc1)C2=O)c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C27H22ClN3O2/c1-16-6-8-17(9-7-16)15-30-26(32)23-14-21-20-4-2-3-5-22(20)29-24(21)25(31(23)27(30)33)18-10-12-19(28)13-11-18/h2-13,23,25,29H,14-15H2,1H3/t23-,25+/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544519
PNG
(CHEMBL4640958)
Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@@H](CC(C)C)N1C(=O)N(Cc1ccc(OC)cc1)C2=O |r|
Show InChI InChI=1S/C25H27N3O3/c1-15(2)12-21-23-19(18-6-4-5-7-20(18)26-23)13-22-24(29)27(25(30)28(21)22)14-16-8-10-17(31-3)11-9-16/h4-11,15,21-22,26H,12-14H2,1-3H3/t21-,22+/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544529
PNG
(CHEMBL4640675)
Show SMILES [H][C@@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)N(C2=O)c1cccc(c1)C(F)(F)F)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H17F4N3O2/c27-16-10-8-14(9-11-16)23-22-19(18-6-1-2-7-20(18)31-22)13-21-24(34)32(25(35)33(21)23)17-5-3-4-15(12-17)26(28,29)30/h1-12,21,23,31H,13H2/t21-,23+/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
BDBM50544507
PNG
(CHEMBL4637346)
Show SMILES COC(=O)CC[C@@H]1N[C@@H](Cc2c1[nH]c1ccccc21)C(=O)NCc1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H24FN3O3/c1-30-21(28)11-10-19-22-17(16-4-2-3-5-18(16)27-22)12-20(26-19)23(29)25-13-14-6-8-15(24)9-7-14/h2-9,19-20,26-27H,10-13H2,1H3,(H,25,29)/t19-,20-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Salerno

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPM8 expressed in HEK293 cells assessed as inhibition of menthol-induced calcium flux preincubated for 60 mins followed b...


J Med Chem 63: 9672-9694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00816
BindingDB Entry DOI: 10.7270/Q2GF0Z2X
More data for this
Ligand-Target Pair
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