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Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'munoz' and Initial = 'e'   
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
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197959
PNG
(CHEMBL3943485)
Show SMILES CC(C)[C@]1(O)CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C1 |r,t:8,13,18|
Show InChI InChI=1S/C20H34O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,21H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+/t20-/m1/s1
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UniProtKB/TrEMBL

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n/an/a 150n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197965
PNG
(Incensole)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](O)CC\C(C)=C\CC\C(C)=C\C2 |r,t:15,20|
Show InChI InChI=1S/C20H34O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15,18,21H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+/t18-,19+,20+/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197958
PNG
(CHEMBL3979367)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(C)=O |r,t:14,19|
Show InChI InChI=1S/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8+,18-12+/t20-,21+,22+/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197963
PNG
(CHEMBL3983336)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)C(=O)CC\C(C)=C\CC\C(C)=C\C2 |r,t:15,20|
Show InChI InChI=1S/C20H32O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+/t19-,20-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50382731
PNG
(CHEMBL2023564)
Show SMILES [#6]-[#6@H]-1-[#8]-[#6@@H](-[#8][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6@H]-2-[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r,c:17|
Show InChI InChI=1S/C21H36O5/c1-13(2)7-6-12-21(5,16-10-8-14(3)9-11-16)26-20-19(24)18(23)17(22)15(4)25-20/h7-8,15-20,22-24H,6,9-12H2,1-5H3/t15-,16-,17+,18+,19-,20+,21+/m1/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing p4xM67-tk-Luc treated 30 mins before TNFalpha challenge measured after...


J Nat Prod 75: 453-8 (2012)


Article DOI: 10.1021/np2008973
BindingDB Entry DOI: 10.7270/Q2765GB1
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197964
PNG
(CHEMBL3922508)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](O)CC\C(C)=C\CC\C(C)=C\C2 |r,t:15,20|
Show InChI InChI=1S/C20H34O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15,18,21H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+/t18-,19-,20-/m1/s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197969
PNG
(CHEMBL3975348)
Show SMILES [H][C@@]12C[C@@]3(CC[C@@](C)(O3)[C@H](CC\C(C)=C\CC[C@]1(C)O2)OC(C)=O)C(C)C |r,t:14|
Show InChI InChI=1S/C22H36O4/c1-15(2)22-13-12-21(6,26-22)18(24-17(4)23)10-9-16(3)8-7-11-20(5)19(14-22)25-20/h8,15,18-19H,7,9-14H2,1-6H3/b16-8+/t18-,19+,20-,21+,22-/m0/s1
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n/an/a 1.32E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50335905
PNG
((+)-(S)-ar-turmerone | CHEMBL1668333)
Show SMILES [#6]-[#6@@H](-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#6])cc1 |r|
Show InChI InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13H,10H2,1-4H3/t13-/m0/s1
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n/an/a 1.42E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN gamma-induced STAT3 (unknown origin) activation in HeLa-STAT3-Luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 79: 267-73 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00637
BindingDB Entry DOI: 10.7270/Q2DR2XD7
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197965
PNG
(Incensole)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](O)CC\C(C)=C\CC\C(C)=C\C2 |r,t:15,20|
Show InChI InChI=1S/C20H34O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15,18,21H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+/t18-,19+,20+/m0/s1
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n/an/a 1.58E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197970
PNG
(CHEMBL3913521)
Show SMILES [H][C@]12CC\C(C)=C\C[C@@]3(CC[C@@](C)(O3)[C@H](CC[C@@]1(C)O2)OC(C)=O)C(C)C |r,t:5|
Show InChI InChI=1S/C22H36O4/c1-15(2)22-12-9-16(3)7-8-19-20(5,25-19)11-10-18(24-17(4)23)21(6,26-22)13-14-22/h9,15,18-19H,7-8,10-14H2,1-6H3/b16-9+/t18-,19-,20+,21+,22+/m0/s1
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n/an/a 2.11E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197971
PNG
(CHEMBL3890789)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(=O)Cc1ccccc1 |r,t:14,19|
Show InChI InChI=1S/C28H40O3/c1-21(2)28-17-16-23(4)11-9-10-22(3)14-15-25(27(5,31-28)18-19-28)30-26(29)20-24-12-7-6-8-13-24/h6-8,10,12-13,16,21,25H,9,11,14-15,17-20H2,1-5H3/b22-10+,23-16+/t25-,27+,28+/m0/s1
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n/an/a 2.17E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197961
PNG
(CHEMBL3899770)
Show SMILES CCCCCCCCC(=O)O[C@H]1CC\C(C)=C\CC\C(C)=C\C[C@@]2(CC[C@@]1(C)O2)C(C)C |r,t:15,20|
Show InChI InChI=1S/C29H50O3/c1-7-8-9-10-11-12-16-27(30)31-26-18-17-24(4)14-13-15-25(5)19-20-29(23(2)3)22-21-28(26,6)32-29/h14,19,23,26H,7-13,15-18,20-22H2,1-6H3/b24-14+,25-19+/t26-,28+,29+/m0/s1
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n/an/a 2.41E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197961
PNG
(CHEMBL3899770)
Show SMILES CCCCCCCCC(=O)O[C@H]1CC\C(C)=C\CC\C(C)=C\C[C@@]2(CC[C@@]1(C)O2)C(C)C |r,t:15,20|
Show InChI InChI=1S/C29H50O3/c1-7-8-9-10-11-12-16-27(30)31-26-18-17-24(4)14-13-15-25(5)19-20-29(23(2)3)22-21-28(26,6)32-29/h14,19,23,26H,7-13,15-18,20-22H2,1-6H3/b24-14+,25-19+/t26-,28+,29+/m0/s1
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n/an/a 3.87E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197970
PNG
(CHEMBL3913521)
Show SMILES [H][C@]12CC\C(C)=C\C[C@@]3(CC[C@@](C)(O3)[C@H](CC[C@@]1(C)O2)OC(C)=O)C(C)C |r,t:5|
Show InChI InChI=1S/C22H36O4/c1-15(2)22-12-9-16(3)7-8-19-20(5,25-19)11-10-18(24-17(4)23)21(6,26-22)13-14-22/h9,15,18-19H,7-8,10-14H2,1-6H3/b16-9+/t18-,19-,20+,21+,22+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197963
PNG
(CHEMBL3983336)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)C(=O)CC\C(C)=C\CC\C(C)=C\C2 |r,t:15,20|
Show InChI InChI=1S/C20H32O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+/t19-,20-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197964
PNG
(CHEMBL3922508)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](O)CC\C(C)=C\CC\C(C)=C\C2 |r,t:15,20|
Show InChI InChI=1S/C20H34O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15,18,21H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+/t18-,19-,20-/m1/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197966
PNG
(CHEMBL3959869)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(=O)c1ccccc1 |r,t:14,19|
Show InChI InChI=1S/C27H38O3/c1-20(2)27-17-16-22(4)11-9-10-21(3)14-15-24(26(5,30-27)18-19-27)29-25(28)23-12-7-6-8-13-23/h6-8,10,12-13,16,20,24H,9,11,14-15,17-19H2,1-5H3/b21-10+,22-16+/t24-,26+,27+/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197971
PNG
(CHEMBL3890789)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(=O)Cc1ccccc1 |r,t:14,19|
Show InChI InChI=1S/C28H40O3/c1-21(2)28-17-16-23(4)11-9-10-22(3)14-15-25(27(5,31-28)18-19-28)30-26(29)20-24-12-7-6-8-13-24/h6-8,10,12-13,16,21,25H,9,11,14-15,17-20H2,1-5H3/b22-10+,23-16+/t25-,27+,28+/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197960
PNG
(CHEMBL3931428)
Show SMILES [H][C@@]12CC\C(C)=C\[C@]3([H])OC(=O)C(C)=C3CC\C(C)=C\CC[C@]1(C)O2 |r,c:13,t:5,19|
Show InChI InChI=1S/C20H28O3/c1-13-6-5-11-20(4)18(23-20)10-8-14(2)12-17-16(9-7-13)15(3)19(21)22-17/h6,12,17-18H,5,7-11H2,1-4H3/b13-6+,14-12+/t17-,18+,20-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197959
PNG
(CHEMBL3943485)
Show SMILES CC(C)[C@]1(O)CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C1 |r,t:8,13,18|
Show InChI InChI=1S/C20H34O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,21H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+/t20-/m1/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197958
PNG
(CHEMBL3979367)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(C)=O |r,t:14,19|
Show InChI InChI=1S/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8+,18-12+/t20-,21+,22+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197969
PNG
(CHEMBL3975348)
Show SMILES [H][C@@]12C[C@@]3(CC[C@@](C)(O3)[C@H](CC\C(C)=C\CC[C@]1(C)O2)OC(C)=O)C(C)C |r,t:14|
Show InChI InChI=1S/C22H36O4/c1-15(2)22-13-12-21(6,26-22)18(24-17(4)23)10-9-16(3)8-7-11-20(5)19(14-22)25-20/h8,15,18-19H,7,9-14H2,1-6H3/b16-8+/t18-,19+,20-,21+,22-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197967
PNG
(CHEMBL3948101)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(=O)\C=C\c1ccccc1 |r,t:14,19|
Show InChI InChI=1S/C29H40O3/c1-22(2)29-19-18-24(4)11-9-10-23(3)14-16-26(28(5,32-29)20-21-29)31-27(30)17-15-25-12-7-6-8-13-25/h6-8,10,12-13,15,17-18,22,26H,9,11,14,16,19-21H2,1-5H3/b17-15+,23-10+,24-18+/t26-,28+,29+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197962
PNG
(CHEMBL3894504)
Show SMILES [H][C@@]12CC\C(C)=C\[C@]3([H])OCC(C)=C3CC\C(C)=C\CC[C@]1(C)O2 |r,c:12,t:5,18|
Show InChI InChI=1S/C20H30O2/c1-14-6-5-11-20(4)19(22-20)10-8-15(2)12-18-17(9-7-14)16(3)13-21-18/h6,12,18-19H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t18-,19+,20-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50197968
PNG
(CHEMBL3904515)
Show SMILES [H][C@@]12C[C@@]3(CC[C@@](C)(O3)[C@@H](O)CC\C(C)=C\CC[C@]1(C)O2)C(C)C |r,t:15|
Show InChI InChI=1S/C20H34O3/c1-14(2)20-12-11-18(4,23-20)16(21)9-8-15(3)7-6-10-19(5)17(13-20)22-19/h7,14,16-17,21H,6,8-13H2,1-5H3/b15-7+/t16-,17+,18+,19-,20-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing STAT3 (unknown origin) preincubated for 15 mins followed by IFN-gamma ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197962
PNG
(CHEMBL3894504)
Show SMILES [H][C@@]12CC\C(C)=C\[C@]3([H])OCC(C)=C3CC\C(C)=C\CC[C@]1(C)O2 |r,c:12,t:5,18|
Show InChI InChI=1S/C20H30O2/c1-14-6-5-11-20(4)19(22-20)10-8-15(2)12-18-17(9-7-14)16(3)13-21-18/h6,12,18-19H,5,7-11,13H2,1-4H3/b14-6+,15-12+/t18-,19+,20-/m0/s1
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n/an/a 5.75E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50382730
PNG
((-)-ALPHA-BISABOLOL | ALPHA-BISABOLOL)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8])[#6@H]-1-[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-1 |r,c:13|
Show InChI InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
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n/an/a 7.30E+4n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing p4xM67-tk-Luc treated 30 mins before TNFalpha challenge measured after...


J Nat Prod 75: 453-8 (2012)


Article DOI: 10.1021/np2008973
BindingDB Entry DOI: 10.7270/Q2765GB1
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197967
PNG
(CHEMBL3948101)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(=O)\C=C\c1ccccc1 |r,t:14,19|
Show InChI InChI=1S/C29H40O3/c1-22(2)29-19-18-24(4)11-9-10-23(3)14-16-26(28(5,32-29)20-21-29)31-27(30)17-15-25-12-7-6-8-13-25/h6-8,10,12-13,15,17-18,22,26H,9,11,14,16,19-21H2,1-5H3/b17-15+,23-10+,24-18+/t26-,28+,29+/m0/s1
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n/an/a 9.44E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197968
PNG
(CHEMBL3904515)
Show SMILES [H][C@@]12C[C@@]3(CC[C@@](C)(O3)[C@@H](O)CC\C(C)=C\CC[C@]1(C)O2)C(C)C |r,t:15|
Show InChI InChI=1S/C20H34O3/c1-14(2)20-12-11-18(4,23-20)16(21)9-8-15(3)7-6-10-19(5)17(13-20)22-19/h7,14,16-17,21H,6,8-13H2,1-5H3/b15-7+/t16-,17+,18+,19-,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197960
PNG
(CHEMBL3931428)
Show SMILES [H][C@@]12CC\C(C)=C\[C@]3([H])OC(=O)C(C)=C3CC\C(C)=C\CC[C@]1(C)O2 |r,c:13,t:5,19|
Show InChI InChI=1S/C20H28O3/c1-13-6-5-11-20(4)18(23-20)10-8-14(2)12-17-16(9-7-13)15(3)19(21)22-17/h6,12,17-18H,5,7-11H2,1-4H3/b13-6+,14-12+/t17-,18+,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50197958
PNG
(CHEMBL3979367)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(C)=O |r,t:14,19|
Show InChI InChI=1S/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8+,18-12+/t20-,21+,22+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of NFkappaB p65 activation (unknown origin) expressed in human HeLa cells assessed as inhibition of TNFalpha-induced NFkappaB p65 nuclear ...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197966
PNG
(CHEMBL3959869)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(=O)c1ccccc1 |r,t:14,19|
Show InChI InChI=1S/C27H38O3/c1-20(2)27-17-16-22(4)11-9-10-21(3)14-15-24(26(5,30-27)18-19-27)29-25(28)23-12-7-6-8-13-23/h6-8,10,12-13,16,20,24H,9,11,14-15,17-19H2,1-5H3/b21-10+,22-16+/t24-,26+,27+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Antagonist activity at rat TRPV3 overexpressed in HEK293 cells assessed as inhibition of thymol-induced increase in intracellular Ca2+ levels preincu...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50382732
PNG
(CHEMBL2023565)
Show SMILES [#6]-[#6@H]-1-[#8]-[#6@@H](-[#8][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6@H]-2-[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-2)-[#6@H](-[#8])-[#6@@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6@H]-1-[#8] |r,c:17|
Show InChI InChI=1S/C26H42O6/c1-16(2)9-8-14-26(7,20-12-10-18(5)11-13-20)32-25-23(29)24(22(28)19(6)30-25)31-21(27)15-17(3)4/h9-10,15,19-20,22-25,28-29H,8,11-14H2,1-7H3/t19-,20-,22+,23-,24+,25+,26+/m1/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing p4xM67-tk-Luc treated 30 mins before TNFalpha challenge measured after...


J Nat Prod 75: 453-8 (2012)


Article DOI: 10.1021/np2008973
BindingDB Entry DOI: 10.7270/Q2765GB1
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197971
PNG
(CHEMBL3890789)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(=O)Cc1ccccc1 |r,t:14,19|
Show InChI InChI=1S/C28H40O3/c1-21(2)28-17-16-23(4)11-9-10-22(3)14-15-25(27(5,31-28)18-19-28)30-26(29)20-24-12-7-6-8-13-24/h6-8,10,12-13,16,21,25H,9,11,14-15,17-20H2,1-5H3/b22-10+,23-16+/t25-,27+,28+/m0/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentratio...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197968
PNG
(CHEMBL3904515)
Show SMILES [H][C@@]12C[C@@]3(CC[C@@](C)(O3)[C@@H](O)CC\C(C)=C\CC[C@]1(C)O2)C(C)C |r,t:15|
Show InChI InChI=1S/C20H34O3/c1-14(2)20-12-11-18(4,23-20)16(21)9-8-15(3)7-6-10-19(5)17(13-20)22-19/h7,14,16-17,21H,6,8-13H2,1-5H3/b15-7+/t16-,17+,18+,19-,20-/m0/s1
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n/an/an/an/a 2.54E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentratio...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197964
PNG
(CHEMBL3922508)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](O)CC\C(C)=C\CC\C(C)=C\C2 |r,t:15,20|
Show InChI InChI=1S/C20H34O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15,18,21H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+/t18-,19-,20-/m1/s1
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n/an/an/an/a 7.30E+3n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentratio...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197963
PNG
(CHEMBL3983336)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)C(=O)CC\C(C)=C\CC\C(C)=C\C2 |r,t:15,20|
Show InChI InChI=1S/C20H32O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+/t19-,20-/m1/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentratio...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197960
PNG
(CHEMBL3931428)
Show SMILES [H][C@@]12CC\C(C)=C\[C@]3([H])OC(=O)C(C)=C3CC\C(C)=C\CC[C@]1(C)O2 |r,c:13,t:5,19|
Show InChI InChI=1S/C20H28O3/c1-13-6-5-11-20(4)18(23-20)10-8-14(2)12-17-16(9-7-13)15(3)19(21)22-17/h6,12,17-18H,5,7-11H2,1-4H3/b13-6+,14-12+/t17-,18+,20-/m0/s1
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n/an/an/an/a 3.01E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentratio...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197959
PNG
(CHEMBL3943485)
Show SMILES CC(C)[C@]1(O)CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\C1 |r,t:8,13,18|
Show InChI InChI=1S/C20H34O/c1-16(2)20(21)14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,21H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+/t20-/m1/s1
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n/an/an/an/a 170n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentratio...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50240432
PNG
(1-hydroxy-5-methyl-2-isopropylbenzene | 2-isopropy...)
Show SMILES CC(C)c1ccc(C)cc1O
Show InChI InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3
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n/an/an/an/a 2.90E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentratio...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 3


(Mus musculus)
BDBM50197958
PNG
(CHEMBL3979367)
Show SMILES CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(C)=O |r,t:14,19|
Show InChI InChI=1S/C22H36O3/c1-16(2)22-13-12-18(4)9-7-8-17(3)10-11-20(24-19(5)23)21(6,25-22)14-15-22/h8,12,16,20H,7,9-11,13-15H2,1-6H3/b17-8+,18-12+/t20-,21+,22+/m0/s1
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n/an/an/an/a 1.60E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at mouse YFP-tagged TRPV3 expressed in HEK293 cells assessed as increase in calcium influx by Fluo-2-AM dye based microscopic analys...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)
BDBM50197961
PNG
(CHEMBL3899770)
Show SMILES CCCCCCCCC(=O)O[C@H]1CC\C(C)=C\CC\C(C)=C\C[C@@]2(CC[C@@]1(C)O2)C(C)C |r,t:15,20|
Show InChI InChI=1S/C29H50O3/c1-7-8-9-10-11-12-16-27(30)31-26-18-17-24(4)14-13-15-25(5)19-20-29(23(2)3)22-21-28(26,6)32-29/h14,19,23,26H,7-13,15-18,20-22H2,1-6H3/b24-14+,25-19+/t26-,28+,29+/m0/s1
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n/an/an/an/a 5.60E+3n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of rat TRPV3 overexpressed in HEK293 cells assessed as increase in 2-aminoethoxydiphenyl borate-induced intracellular calcium concentratio...


J Nat Prod 79: 1762-8 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00141
BindingDB Entry DOI: 10.7270/Q2PC34BW
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50061117
PNG
(6,6,9-Trimethyl-3-pentyl-6H-benzo[c]chromen-1-ol |...)
Show SMILES CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
Show InChI InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3
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n/an/an/an/a>2.50E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARgamma (unknown origin) transiently expressed in HEK293T cells co-transfected with GAL4-tagged luc incubated for 6...


J Nat Prod 83: 1711-1715 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01284
BindingDB Entry DOI: 10.7270/Q2SQ93Z6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50541571
PNG
(CHEMBL127671 | HU-336 | HU-345)
Show SMILES CCCCCC1=CC(=O)C2=C(OC(C)(C)c3ccc(C)cc23)C1=O |t:5,9|
Show InChI InChI=1S/C21H24O3/c1-5-6-7-8-14-12-17(22)18-15-11-13(2)9-10-16(15)21(3,4)24-20(18)19(14)23/h9-12H,5-8H2,1-4H3
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n/an/an/an/a 2.31E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARgamma (unknown origin) transiently expressed in HEK293T cells co-transfected with GAL4-tagged luc incubated for 6...


J Nat Prod 83: 1711-1715 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01284
BindingDB Entry DOI: 10.7270/Q2SQ93Z6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50541572
PNG
(CHEMBL4635276)
Show SMILES CCCCCC1=CC(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O |r,t:5,11,20|
Show InChI InChI=1S/C21H28O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1
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n/an/an/an/a 1.05E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARgamma (unknown origin) transiently expressed in HEK293T cells co-transfected with GAL4-tagged luc incubated for 6...


J Nat Prod 83: 1711-1715 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01284
BindingDB Entry DOI: 10.7270/Q2SQ93Z6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50541573
PNG
(CHEMBL4636188)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1=[#6]-[#6](=O)-[#6]-2=[#6](-[#8]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6]=[#6]-2)-[#6]-1=O |c:20,t:5,9|
Show InChI InChI=1S/C21H28O3/c1-5-6-7-10-16-14-18(22)17-11-13-21(4,12-8-9-15(2)3)24-20(17)19(16)23/h9,11,13-14H,5-8,10,12H2,1-4H3
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n/an/an/an/a 1.47E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARgamma (unknown origin) transiently expressed in HEK293T cells co-transfected with GAL4-tagged luc incubated for 6...


J Nat Prod 83: 1711-1715 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01284
BindingDB Entry DOI: 10.7270/Q2SQ93Z6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50541574
PNG
(CHEMBL4636830)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1=[#6]-[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6])=[#6](-[#8])-[#6]-1=O |t:5,19|
Show InChI InChI=1S/C21H30O3/c1-5-6-7-11-17-14-19(22)18(21(24)20(17)23)13-12-16(4)10-8-9-15(2)3/h9,12,14,24H,5-8,10-11,13H2,1-4H3/b16-12+
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n/an/an/an/a 4.90E+3n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARgamma (unknown origin) transiently expressed in HEK293T cells co-transfected with GAL4-tagged luc incubated for 6...


J Nat Prod 83: 1711-1715 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01284
BindingDB Entry DOI: 10.7270/Q2SQ93Z6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50318484
PNG
(2-((1R,6R)-6-Isopropenyl-3-methyl-cyclohex-2-enyl)...)
Show SMILES CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m0/s1
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n/an/an/an/a>2.50E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARgamma (unknown origin) transiently expressed in HEK293T cells co-transfected with GAL4-tagged luc incubated for 6...


J Nat Prod 83: 1711-1715 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01284
BindingDB Entry DOI: 10.7270/Q2SQ93Z6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50318486
PNG
(2-Methyl-2-(4-methyl-pent-3-enyl)-7-pentyl-2H-chro...)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8])c2-[#6]=[#6]C([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#8]-c2c1 |c:10|
Show InChI InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
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n/an/an/an/a>2.50E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARgamma (unknown origin) transiently expressed in HEK293T cells co-transfected with GAL4-tagged luc incubated for 6...


J Nat Prod 83: 1711-1715 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01284
BindingDB Entry DOI: 10.7270/Q2SQ93Z6
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50318487
PNG
(CHEMBL497318 | Cannabigerol)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-c1cc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c1
Show InChI InChI=1S/C21H32O2/c1-5-6-7-11-18-14-20(22)19(21(23)15-18)13-12-17(4)10-8-9-16(2)3/h9,12,14-15,22-23H,5-8,10-11,13H2,1-4H3/b17-12+
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n/an/an/an/a 1.57E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARgamma (unknown origin) transiently expressed in HEK293T cells co-transfected with GAL4-tagged luc incubated for 6...


J Nat Prod 83: 1711-1715 (2020)


Article DOI: 10.1021/acs.jnatprod.9b01284
BindingDB Entry DOI: 10.7270/Q2SQ93Z6
More data for this
Ligand-Target Pair
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