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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50039219   
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 V member 1


(Homo sapiens (Human))
BDBM50321857
PNG
(8-{4-(4-Fluorophenyl)-5-[4-(trifluoromethyl)phenyl...)
Show SMILES OC1CCc2cccc(Nc3nc(c(o3)-c3ccc(cc3)C(F)(F)F)-c3ccc(F)cc3)c2C1
Show InChI InChI=1S/C26H20F4N2O2/c27-19-11-6-16(7-12-19)23-24(17-4-9-18(10-5-17)26(28,29)30)34-25(32-23)31-22-3-1-2-15-8-13-20(33)14-21(15)22/h1-7,9-12,20,33H,8,13-14H2,(H,31,32)
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n/an/a 1.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321856
PNG
(4-{2-[7-Hydroxy-5,6,7,8-tetrahydronaphthalen-1-yla...)
Show SMILES OC1CCc2cccc(Nc3nc(c(o3)-c3ccc(cc3)C(F)(F)F)-c3ccc(cc3)C#N)c2C1
Show InChI InChI=1S/C27H20F3N3O2/c28-27(29,30)20-11-8-19(9-12-20)25-24(18-6-4-16(15-31)5-7-18)33-26(35-25)32-23-3-1-2-17-10-13-21(34)14-22(17)23/h1-9,11-12,21,34H,10,13-14H2,(H,32,33)
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n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321853
PNG
(8-{4-Ethyl-5-[4-(trifluoromethyl)phenyl]oxazol-2-y...)
Show SMILES CCc1nc(Nc2cccc3CCC(O)Cc23)oc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C22H21F3N2O2/c1-2-18-20(14-6-9-15(10-7-14)22(23,24)25)29-21(26-18)27-19-5-3-4-13-8-11-16(28)12-17(13)19/h3-7,9-10,16,28H,2,8,11-12H2,1H3,(H,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321850
PNG
(8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazol-2-...)
Show SMILES Cc1nc(Nc2cccc3CCC(O)Cc23)oc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)
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n/an/a 3.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321852
PNG
((S)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321836
PNG
(8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-...)
Show SMILES OC1CCc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-5,7-8,11,15,26H,6,9-10H2,(H,24,25)
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n/an/a 8.30n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321855
PNG
(8-{4-Bromo-5-[4-(trifluoromethyl)phenyl]oxazol-2-y...)
Show SMILES OC1CCc2cccc(Nc3nc(Br)c(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C20H16BrF3N2O2/c21-18-17(12-4-7-13(8-5-12)20(22,23)24)28-19(26-18)25-16-3-1-2-11-6-9-14(27)10-15(11)16/h1-5,7-8,14,27H,6,9-10H2,(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321839
PNG
(8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}n...)
Show SMILES Oc1ccc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2c1
Show InChI InChI=1S/C20H13F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-11,26H,(H,24,25)
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n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321845
PNG
(8-[5-(4-Chlorophenyl)oxazol-2-ylamino]-1,2,3,4-tet...)
Show SMILES OC1CCc2cccc(Nc3ncc(o3)-c3ccc(Cl)cc3)c2C1
Show InChI InChI=1S/C19H17ClN2O2/c20-14-7-4-13(5-8-14)18-11-21-19(24-18)22-17-3-1-2-12-6-9-15(23)10-16(12)17/h1-5,7-8,11,15,23H,6,9-10H2,(H,21,22)
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321851
PNG
((R)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321844
PNG
(8-[5-(4-tert-Butylphenyl)oxazol-2-ylamino]-1,2,3,4...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C23H26N2O2/c1-23(2,3)17-10-7-16(8-11-17)21-14-24-22(27-21)25-20-6-4-5-15-9-12-18(26)13-19(15)20/h4-8,10-11,14,18,26H,9,12-13H2,1-3H3,(H,24,25)
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n/an/a 26n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321843
PNG
(8-(5-p-tolyloxazol-2-ylamino)-1,2,3,4-tetrahydrona...)
Show SMILES Cc1ccc(cc1)-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C20H20N2O2/c1-13-5-7-15(8-6-13)19-12-21-20(24-19)22-18-4-2-3-14-9-10-16(23)11-17(14)18/h2-8,12,16,23H,9-11H2,1H3,(H,21,22)
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n/an/a 62n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321846
PNG
(8-[5-(4-Methoxyphenyl)oxazol-2-ylamino]-1,2,3,4-te...)
Show SMILES COc1ccc(cc1)-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C20H20N2O3/c1-24-16-9-6-14(7-10-16)19-12-21-20(25-19)22-18-4-2-3-13-5-8-15(23)11-17(13)18/h2-4,6-7,9-10,12,15,23H,5,8,11H2,1H3,(H,21,22)
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n/an/a 81n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321847
PNG
(8-{5-[4-(Pyrrolidin-1-yl)phenyl]oxazol-2-ylamino}-...)
Show SMILES OC1CCc2cccc(Nc3ncc(o3)-c3ccc(cc3)N3CCCC3)c2C1
Show InChI InChI=1S/C23H25N3O2/c27-19-11-8-16-4-3-5-21(20(16)14-19)25-23-24-15-22(28-23)17-6-9-18(10-7-17)26-12-1-2-13-26/h3-7,9-10,15,19,27H,1-2,8,11-14H2,(H,24,25)
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n/an/a 101n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321838
PNG
(CHEMBL1173746 | N-(1H-indazol-4-yl)-5-[4-(trifluor...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cnc(Nc2cccc3[nH]ncc23)o1
Show InChI InChI=1S/C17H11F3N4O/c18-17(19,20)11-6-4-10(5-7-11)15-9-21-16(25-15)23-13-2-1-3-14-12(13)8-22-24-14/h1-9H,(H,21,23)(H,22,24)
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n/an/a 101n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321854
PNG
(8-{4-Isopropyl-5-[4-(trifluoromethyl)phenyl]oxazol...)
Show SMILES CC(C)c1nc(Nc2cccc3CCC(O)Cc23)oc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N2O2/c1-13(2)20-21(15-6-9-16(10-7-15)23(24,25)26)30-22(28-20)27-19-5-3-4-14-8-11-17(29)12-18(14)19/h3-7,9-10,13,17,29H,8,11-12H2,1-2H3,(H,27,28)
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n/an/a 114n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321834
PNG
(5-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-...)
Show SMILES CC1CCc2c(C1)cccc2Nc1ncc(o1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H19F3N2O/c1-13-5-10-17-15(11-13)3-2-4-18(17)26-20-25-12-19(27-20)14-6-8-16(9-7-14)21(22,23)24/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,25,26)
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n/an/a 120n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321831
PNG
(CHEMBL1173093 | N-(7-methoxy-5,6,7,8-tetrahydronap...)
Show SMILES COC1CCc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C21H19F3N2O2/c1-27-16-10-7-13-3-2-4-18(17(13)11-16)26-20-25-12-19(28-20)14-5-8-15(9-6-14)21(22,23)24/h2-6,8-9,12,16H,7,10-11H2,1H3,(H,25,26)
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n/an/a 150n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321842
PNG
(8-(5-m-Tolyloxazol-2-ylamino)-1,2,3,4-tetrahydrona...)
Show SMILES Cc1cccc(c1)-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C20H20N2O2/c1-13-4-2-6-15(10-13)19-12-21-20(24-19)22-18-7-3-5-14-8-9-16(23)11-17(14)18/h2-7,10,12,16,23H,8-9,11H2,1H3,(H,21,22)
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n/an/a 157n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321840
PNG
(8-(5-Phenyloxazol-2-ylamino)-1,2,3,4-tetrahydronap...)
Show SMILES OC1CCc2cccc(Nc3ncc(o3)-c3ccccc3)c2C1
Show InChI InChI=1S/C19H18N2O2/c22-15-10-9-13-7-4-8-17(16(13)11-15)21-19-20-12-18(23-19)14-5-2-1-3-6-14/h1-8,12,15,22H,9-11H2,(H,20,21)
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n/an/a 187n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321837
PNG
(CHEMBL1173681 | N-(isoquinolin-5-yl)-5-[4-(trifluo...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cnc(Nc2cccc3cnccc23)o1
Show InChI InChI=1S/C19H12F3N3O/c20-19(21,22)14-6-4-12(5-7-14)17-11-24-18(26-17)25-16-3-1-2-13-10-23-9-8-15(13)16/h1-11H,(H,24,25)
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n/an/a 229n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321832
PNG
(8-[Methyl{5-[4-(trifluoromethyl)phenyl]oxazol-2-yl...)
Show SMILES CN(c1ncc(o1)-c1ccc(cc1)C(F)(F)F)c1cccc2CCC(O)Cc12
Show InChI InChI=1S/C21H19F3N2O2/c1-26(18-4-2-3-13-7-10-16(27)11-17(13)18)20-25-12-19(28-20)14-5-8-15(9-6-14)21(22,23)24/h2-6,8-9,12,16,27H,7,10-11H2,1H3
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n/an/a 277n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321830
PNG
(CHEMBL1173157 | N1-{5-[4-(trifluoromethyl)phenyl]o...)
Show SMILES NC1CCc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C20H18F3N3O/c21-20(22,23)14-7-4-13(5-8-14)18-11-25-19(27-18)26-17-3-1-2-12-6-9-15(24)10-16(12)17/h1-5,7-8,11,15H,6,9-10,24H2,(H,25,26)
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n/an/a 327n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321835
PNG
(8-{5-[4-(Trifluoromethyl)phenyl]oxazol-2-ylamino}-...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cnc(Nc2cccc3CCC(=O)Cc23)o1
Show InChI InChI=1S/C20H15F3N2O2/c21-20(22,23)14-7-4-13(5-8-14)18-11-24-19(27-18)25-17-3-1-2-12-6-9-15(26)10-16(12)17/h1-5,7-8,11H,6,9-10H2,(H,24,25)
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n/an/a 374n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321841
PNG
(8-(5-o-Tolyloxazol-2-ylamino)-1,2,3,4-tetrahydrona...)
Show SMILES Cc1ccccc1-c1cnc(Nc2cccc3CCC(O)Cc23)o1
Show InChI InChI=1S/C20H20N2O2/c1-13-5-2-3-7-16(13)19-12-21-20(24-19)22-18-8-4-6-14-9-10-15(23)11-17(14)18/h2-8,12,15,23H,9-11H2,1H3,(H,21,22)
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n/an/a 416n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321833
PNG
(2-Methyl-8-{5-[4-(trifluoromethyl)phenyl]oxazol-2-...)
Show SMILES CC1(O)CCc2cccc(Nc3ncc(o3)-c3ccc(cc3)C(F)(F)F)c2C1
Show InChI InChI=1S/C21H19F3N2O2/c1-20(27)10-9-13-3-2-4-17(16(13)11-20)26-19-25-12-18(28-19)14-5-7-15(8-6-14)21(22,23)24/h2-8,12,27H,9-11H2,1H3,(H,25,26)
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n/an/a 840n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321849
PNG
(8-(4-Phenyloxazol-2-ylamino)-1,2,3,4-tetrahydronap...)
Show SMILES OC1CCc2cccc(Nc3nc(co3)-c3ccccc3)c2C1
Show InChI InChI=1S/C19H18N2O2/c22-15-10-9-13-7-4-8-17(16(13)11-15)20-19-21-18(12-23-19)14-5-2-1-3-6-14/h1-8,12,15,22H,9-11H2,(H,20,21)
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n/an/a 864n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321848
PNG
(8-(5-Benzyloxazol-2-ylamino)-1,2,3,4-tetrahydronap...)
Show SMILES OC1CCc2cccc(Nc3ncc(Cc4ccccc4)o3)c2C1
Show InChI InChI=1S/C20H20N2O2/c23-16-10-9-15-7-4-8-19(18(15)12-16)22-20-21-13-17(24-20)11-14-5-2-1-3-6-14/h1-8,13,16,23H,9-12H2,(H,21,22)
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n/an/a 1.82E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor expressed in human 1321 cells assessed as inhibition of capsaicin-induced in intracellular ca...


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)
BDBM50321851
PNG
((R)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/a 3.70E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV2 receptor


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Homo sapiens (Human))
BDBM50321851
PNG
((R)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPM8 receptor


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321851
PNG
((R)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 receptor


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 4


(Homo sapiens (Human))
BDBM50321851
PNG
((R)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV4 receptor


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Homo sapiens (Human))
BDBM50321851
PNG
((R)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV3 receptor


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50321851
PNG
((R)-8-{5-[3-Methyl-4-(trifluoromethyl)phenyl]oxazo...)
Show SMILES Cc1nc(Nc2cccc3CC[C@@H](O)Cc23)oc1-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N2O2/c1-12-19(14-5-8-15(9-6-14)21(22,23)24)28-20(25-12)26-18-4-2-3-13-7-10-16(27)11-17(13)18/h2-6,8-9,16,27H,7,10-11H2,1H3,(H,25,26)/t16-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 receptor


Bioorg Med Chem 18: 4821-9 (2011)


Article DOI: 10.1016/j.bmc.2010.04.099
BindingDB Entry DOI: 10.7270/Q27H1KJJ
More data for this
Ligand-Target Pair