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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'af forselles' and Initial = 'k'   
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
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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15n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation counting


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342539
PNG
(2-(3-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C15H16ClN3/c16-13-3-1-2-11(8-13)9-15-18-10-12-4-6-17-7-5-14(12)19-15/h1-3,8,10,17H,4-7,9H2
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84n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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160n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50161646
PNG
((1R)-8-chloro-2,3,4,5-tetrahydro-1-methyl-1H-3-ben...)
Show SMILES C[C@H]1CNCCc2ccc(Cl)cc12
Show InChI InChI=1S/C11H14ClN/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8,13H,4-5,7H2,1H3/t8-/m0/s1
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167n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342547
PNG
(2-(3-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H19N3/c1-12-3-2-4-13(9-12)10-16-18-11-14-5-7-17-8-6-15(14)19-16/h2-4,9,11,17H,5-8,10H2,1H3
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244n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342548
PNG
(2-(2-methylbenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Cc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C16H19N3/c1-12-4-2-3-5-13(12)10-16-18-11-14-6-8-17-9-7-15(14)19-16/h2-5,11,17H,6-10H2,1H3
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305n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342544
PNG
(2-(3-(trifluoromethyl)benzyl)-6,7,8,9-tetrahydro-5...)
Show SMILES FC(F)(F)c1cccc(Cc2ncc3CCNCCc3n2)c1
Show InChI InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-2-11(8-13)9-15-21-10-12-4-6-20-7-5-14(12)22-15/h1-3,8,10,20H,4-7,9H2
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308n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342549
PNG
(2-(4-fluorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Fc1ccc(Cc2ncc3CCNCCc3n2)cc1
Show InChI InChI=1S/C15H16FN3/c16-13-3-1-11(2-4-13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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470n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50342545
PNG
(2-(2-chlorobenzyl)-6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1ccccc1Cc1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H16ClN3/c16-13-4-2-1-3-11(13)9-15-18-10-12-5-7-17-8-6-14(12)19-15/h1-4,10,17H,5-9H2
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1.85E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]meselurgine from human 5HT2C receptor expressed in Swiss mouse 3T3 cells by scintillation proximity assay


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50089251
PNG
(CHEMBL3576881)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cn2ccccc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O3/c1-16(18-8-10-20(25)11-9-18)28(14-17-5-4-6-19(13-17)24(30)31)23(29)21-15-27-12-3-2-7-22(27)26-21/h2-13,15-16H,14H2,1H3,(H,30,31)/t16-/m1/s1
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>9.18E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50089248
PNG
(CHEMBL3577881)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccn2n1)c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O3/c1-16(18-8-10-20(25)11-9-18)27(15-17-5-4-6-19(13-17)24(30)31)23(29)22-14-21-7-2-3-12-28(21)26-22/h2-14,16H,15H2,1H3,(H,30,31)/t16-/m1/s1
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>9.18E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50089252
PNG
(CHEMBL3577889)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccc2cn1)c1ccc(F)cc1
Show InChI InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-8-21(13-18)26(31)32)25(30)24-14-20-6-2-3-7-22(20)15-28-24/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1
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>9.18E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50089253
PNG
(CHEMBL3577900)
Show SMILES CC[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C27H23FN2O3/c1-2-25(19-10-12-23(28)13-11-19)30(17-18-6-5-8-21(14-18)27(32)33)26(31)22-15-20-7-3-4-9-24(20)29-16-22/h3-16,25H,2,17H2,1H3,(H,32,33)/t25-/m1/s1
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>1.52E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50089245
PNG
(CHEMBL3577885)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1
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>1.59E+4n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of dofetilide binding to human ERG


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089257
PNG
(CHEMBL3577904)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccc2cn1)c1ccc(F)cc1F
Show InChI InChI=1S/C26H20F2N2O3/c1-16(22-10-9-21(27)13-23(22)28)30(15-17-5-4-8-19(11-17)26(32)33)25(31)24-12-18-6-2-3-7-20(18)14-29-24/h2-14,16H,15H2,1H3,(H,32,33)/t16-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089259
PNG
(CHEMBL3577902)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1cccc(Cl)c1
Show InChI InChI=1S/C26H21ClN2O3/c1-17(19-8-5-10-23(27)14-19)29(16-18-6-4-9-21(12-18)26(31)32)25(30)22-13-20-7-2-3-11-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089252
PNG
(CHEMBL3577889)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccc2cn1)c1ccc(F)cc1
Show InChI InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-8-21(13-18)26(31)32)25(30)24-14-20-6-2-3-7-22(20)15-28-24/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089248
PNG
(CHEMBL3577881)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccn2n1)c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O3/c1-16(18-8-10-20(25)11-9-18)27(15-17-5-4-6-19(13-17)24(30)31)23(29)22-14-21-7-2-3-12-28(21)26-22/h2-14,16H,15H2,1H3,(H,30,31)/t16-/m1/s1
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n/an/a 94n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089245
PNG
(CHEMBL3577885)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1
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n/an/a 103n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human TRPM8 by single cell patch clamp electrophysiology


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089256
PNG
(CHEMBL3577905)
Show SMILES CC[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccn2n1)c1ccc(F)cc1F
Show InChI InChI=1S/C25H21F2N3O3/c1-2-23(20-10-9-18(26)13-21(20)27)29(15-16-6-5-7-17(12-16)25(32)33)24(31)22-14-19-8-3-4-11-30(19)28-22/h3-14,23H,2,15H2,1H3,(H,32,33)/t23-/m1/s1
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n/an/a 123n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089246
PNG
(CHEMBL3577883)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccc2s1)c1ccc(F)cc1
Show InChI InChI=1S/C25H20FNO3S/c1-16(18-9-11-21(26)12-10-18)27(15-17-5-4-7-20(13-17)25(29)30)24(28)23-14-19-6-2-3-8-22(19)31-23/h2-14,16H,15H2,1H3,(H,29,30)/t16-/m1/s1
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n/an/a 145n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089245
PNG
(CHEMBL3577885)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C26H21FN2O3/c1-17(19-9-11-23(27)12-10-19)29(16-18-5-4-7-21(13-18)26(31)32)25(30)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,31,32)/t17-/m1/s1
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n/an/a 181n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089254
PNG
(CHEMBL3577907)
Show SMILES C[C@@H](N(Cc1cccc(n1)C(O)=O)C(=O)c1cc2ccccc2cn1)c1ccc(F)cc1F
Show InChI InChI=1S/C25H19F2N3O3/c1-15(20-10-9-18(26)12-21(20)27)30(14-19-7-4-8-22(29-19)25(32)33)24(31)23-11-16-5-2-3-6-17(16)13-28-23/h2-13,15H,14H2,1H3,(H,32,33)/t15-/m1/s1
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n/an/a 190n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089253
PNG
(CHEMBL3577900)
Show SMILES CC[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C27H23FN2O3/c1-2-25(19-10-12-23(28)13-11-19)30(17-18-6-5-8-21(14-18)27(32)33)26(31)22-15-20-7-3-4-9-24(20)29-16-22/h3-16,25H,2,17H2,1H3,(H,32,33)/t25-/m1/s1
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n/an/a 202n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089255
PNG
(CHEMBL3577906)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccn2n1)c1ccc(F)cc1F
Show InChI InChI=1S/C24H19F2N3O3/c1-15(20-9-8-18(25)12-21(20)26)28(14-16-5-4-6-17(11-16)24(31)32)23(30)22-13-19-7-2-3-10-29(19)27-22/h2-13,15H,14H2,1H3,(H,31,32)/t15-/m1/s1
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n/an/a 234n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089262
PNG
(CHEMBL3577898)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1F
Show InChI InChI=1S/C26H20F2N2O3/c1-16(22-10-9-21(27)13-23(22)28)30(15-17-5-4-7-19(11-17)26(32)33)25(31)20-12-18-6-2-3-8-24(18)29-14-20/h2-14,16H,15H2,1H3,(H,32,33)/t16-/m1/s1
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n/an/a 288n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M1 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M3 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M4 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M5 chimeric protein


(Homo sapiens)
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to muscarinic M5 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089251
PNG
(CHEMBL3576881)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cn2ccccc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O3/c1-16(18-8-10-20(25)11-9-18)28(14-17-5-4-6-19(13-17)24(30)31)23(29)21-15-27-12-3-2-7-22(27)26-21/h2-13,15-16H,14H2,1H3,(H,30,31)/t16-/m1/s1
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n/an/a 307n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089258
PNG
(CHEMBL3577903)
Show SMILES CC[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(C)o1
Show InChI InChI=1S/C26H24N2O4/c1-3-23(24-12-11-17(2)32-24)28(16-18-7-6-9-20(13-18)26(30)31)25(29)21-14-19-8-4-5-10-22(19)27-15-21/h4-15,23H,3,16H2,1-2H3,(H,30,31)/t23-/m1/s1
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n/an/a 328n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089297
PNG
(CHEMBL3577886)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2ccccc2nn1)c1ccc(F)cc1
Show InChI InChI=1S/C25H20FN3O3/c1-16(18-9-11-21(26)12-10-18)29(15-17-5-4-7-20(13-17)25(31)32)24(30)23-14-19-6-2-3-8-22(19)27-28-23/h2-14,16H,15H2,1H3,(H,31,32)/t16-/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089267
PNG
(CHEMBL3577893)
Show SMILES C[C@@H](N(Cc1cc(ccc1F)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C26H20F2N2O3/c1-16(17-6-9-22(27)10-7-17)30(15-21-13-19(26(32)33)8-11-23(21)28)25(31)20-12-18-4-2-3-5-24(18)29-14-20/h2-14,16H,15H2,1H3,(H,32,33)/t16-/m1/s1
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n/an/a 446n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089249
PNG
(CHEMBL3577880)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cccc(c1)-c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H24FNO3/c1-20(22-13-15-27(30)16-14-22)31(19-21-7-5-12-26(17-21)29(33)34)28(32)25-11-6-10-24(18-25)23-8-3-2-4-9-23/h2-18,20H,19H2,1H3,(H,33,34)/t20-/m1/s1
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n/an/a 837n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089247
PNG
(CHEMBL3577882)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cc2cc[nH]c2cn1)c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O3/c1-15(17-5-7-20(25)8-6-17)28(14-16-3-2-4-19(11-16)24(30)31)23(29)21-12-18-9-10-26-22(18)13-27-21/h2-13,15,26H,14H2,1H3,(H,30,31)/t15-/m1/s1
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n/an/a 951n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089283
PNG
(CHEMBL3577890)
Show SMILES C[C@@H](N(Cc1cccc(n1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C25H20FN3O3/c1-16(17-9-11-20(26)12-10-17)29(15-21-6-4-8-23(28-21)25(31)32)24(30)19-13-18-5-2-3-7-22(18)27-14-19/h2-14,16H,15H2,1H3,(H,31,32)/t16-/m1/s1
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n/an/a 1.16E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089265
PNG
(CHEMBL3577895)
Show SMILES C[C@@H](N(Cc1cccc(c1)-c1nn[nH]n1)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C26H21FN6O/c1-17(19-9-11-23(27)12-10-19)33(16-18-5-4-7-21(13-18)25-29-31-32-30-25)26(34)22-14-20-6-2-3-8-24(20)28-15-22/h2-15,17H,16H2,1H3,(H,29,30,31,32)/t17-/m1/s1
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n/an/a 1.61E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 1.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT6 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to 5-HT3 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089266
PNG
(CHEMBL3577894)
Show SMILES C[C@@H](N(Cc1cccc(CC(O)=O)c1)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C27H23FN2O3/c1-18(21-9-11-24(28)12-10-21)30(17-20-6-4-5-19(13-20)14-26(31)32)27(33)23-15-22-7-2-3-8-25(22)29-16-23/h2-13,15-16,18H,14,17H2,1H3,(H,31,32)/t18-/m1/s1
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n/an/a>3.25E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089274
PNG
(CHEMBL3577891)
Show SMILES C[C@@H](N(Cc1ccc(F)c(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C26H20F2N2O3/c1-16(18-7-9-21(27)10-8-18)30(15-17-6-11-23(28)22(12-17)26(32)33)25(31)20-13-19-4-2-3-5-24(19)29-14-20/h2-14,16H,15H2,1H3,(H,32,33)/t16-/m1/s1
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n/an/a 3.28E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089298
PNG
(CHEMBL3577884)
Show SMILES CC(N(Cc1cccc(c1)C(O)=O)C(=O)c1ccc2OCCc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C25H22FNO4/c1-16(18-5-8-22(26)9-6-18)27(15-17-3-2-4-21(13-17)25(29)30)24(28)20-7-10-23-19(14-20)11-12-31-23/h2-10,13-14,16H,11-12,15H2,1H3,(H,29,30)
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n/an/a 3.62E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089294
PNG
(CHEMBL3577888)
Show SMILES CC(N(Cc1cccc(c1)C(O)=O)C(=O)C1Cc2ccccc2C1)c1ccc(F)cc1
Show InChI InChI=1S/C26H24FNO3/c1-17(19-9-11-24(27)12-10-19)28(16-18-5-4-8-22(13-18)26(30)31)25(29)23-14-20-6-2-3-7-21(20)15-23/h2-13,17,23H,14-16H2,1H3,(H,30,31)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089260
PNG
(CHEMBL3577901)
Show SMILES COc1ccc(cc1)C(C)N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C27H24N2O4/c1-18(20-10-12-24(33-2)13-11-20)29(17-19-6-5-8-22(14-19)27(31)32)26(30)23-15-21-7-3-4-9-25(21)28-16-23/h3-16,18H,17H2,1-2H3,(H,31,32)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089296
PNG
(CHEMBL3577887)
Show SMILES C[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C29H24FNO4/c1-20(22-10-14-25(30)15-11-22)31(19-21-6-5-7-24(18-21)29(33)34)28(32)23-12-16-27(17-13-23)35-26-8-3-2-4-9-26/h2-18,20H,19H2,1H3,(H,33,34)/t20-/m1/s1
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n/an/a>6.17E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2 and M4


(HUMAN M3)
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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n/an/a 6.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human muscarinic M4 receptor


Bioorg Med Chem Lett 21: 2715-20 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.120
BindingDB Entry DOI: 10.7270/Q2HD7VZZ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089263
PNG
(CHEMBL3577897)
Show SMILES OC[C@@H](N(Cc1cccc(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccccc1
Show InChI InChI=1S/C26H22N2O4/c29-17-24(19-8-2-1-3-9-19)28(16-18-7-6-11-21(13-18)26(31)32)25(30)22-14-20-10-4-5-12-23(20)27-15-22/h1-15,24,29H,16-17H2,(H,31,32)/t24-/m1/s1
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n/an/a>6.86E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089273
PNG
(CHEMBL3577892)
Show SMILES C[C@@H](N(Cc1ccc(C)c(c1)C(O)=O)C(=O)c1cnc2ccccc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C27H23FN2O3/c1-17-7-8-19(13-24(17)27(32)33)16-30(18(2)20-9-11-23(28)12-10-20)26(31)22-14-21-5-3-4-6-25(21)29-15-22/h3-15,18H,16H2,1-2H3,(H,32,33)/t18-/m1/s1
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n/an/a>7.82E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8 (TRPM8)


(Homo sapiens (Human))
BDBM50089264
PNG
(CHEMBL3577896)
Show SMILES OC(=O)c1cccc(CN(Cc2ccc(F)cc2)C(=O)c2cnc3ccccc3c2)c1
Show InChI InChI=1S/C25H19FN2O3/c26-22-10-8-17(9-11-22)15-28(16-18-4-3-6-20(12-18)25(30)31)24(29)21-13-19-5-1-2-7-23(19)27-14-21/h1-14H,15-16H2,(H,30,31)
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n/an/a>9.36E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity against human recombinant TRPM8 expressed in CHO T-rex cells assessed as inhibition of WS12-induced calcium response pre-incubate...


ACS Med Chem Lett 6: 419-24 (2015)


Article DOI: 10.1021/ml500479v
BindingDB Entry DOI: 10.7270/Q2FQ9ZBC
More data for this
Ligand-Target Pair
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