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Compile Data Set for Download or QSAR

Found 201 hits with Last Name = 'amodeo' and Initial = 'p'   
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))		BDBM20461
PNG
((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...)
Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O
Show InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
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n/an/a 8n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human TRPV1 stably transfected in HEK293 cells assessed as decrease in calcium influx preincubated for 5 mins followed by caps...

Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00639
BindingDB Entry DOI: 10.7270/Q2D22286
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50554642
PNG
(CHEMBL4800169)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NCc1ccc(O)c(OC)c1 |r,t:15|
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TBA

Assay Description
Antagonist activity at human TRPV1 stably transfected in HEK293 cells assessed as decrease in calcium influx preincubated for 5 mins followed by caps...

Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00639
BindingDB Entry DOI: 10.7270/Q2D22286
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))		BDBM50535869
PNG
(CHEMBL4576619)
Show SMILES COc1cc2CCN([C@@H](c3ccc(F)cc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 |r|
Show InChI InChI=1S/C35H34F2N2O5/c1-41-29-17-23-13-15-38(33(27(23)19-31(29)43-3)21-5-9-25(36)10-6-21)35(40)39-16-14-24-18-30(42-2)32(44-4)20-28(24)34(39)22-7-11-26(37)12-8-22/h5-12,17-20,33-34H,13-16H2,1-4H3/t33-,34-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium accumulation pr...

J Med Chem 59: 5661-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01448
BindingDB Entry DOI: 10.7270/Q2222Z8V
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50016230
PNG
(CHEMBL3262478)
Show SMILES COc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCC(N)=O
Show InChI InChI=1S/C15H14N2O6S2/c1-22-10-4-8(2-3-9(10)23-7-12(16)18)5-11-14(21)17(6-13(19)20)15(24)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5-
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n/an/a 110n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH

Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463972
PNG
(CHEMBL4249976)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N\N=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H42N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(30)28-27-22-23-19-20-24(29)25(21-23)31-2/h10-11,19-22,29H,3-9,12-18H2,1-2H3,(H,28,30)/b11-10-,27-22+
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National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50016232
PNG
(CHEMBL3262476)
Show SMILES NC(=O)COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1
Show InChI InChI=1S/C14H12N2O5S2/c15-11(17)7-21-9-3-1-8(2-4-9)5-10-13(20)16(6-12(18)19)14(22)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5-
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n/an/a 130n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH

Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50016233
PNG
(CHEMBL3262475)
Show SMILES NC(=O)COc1cccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)c1
Show InChI InChI=1S/C14H12N2O5S2/c15-11(17)7-21-9-3-1-2-8(4-9)5-10-13(20)16(6-12(18)19)14(22)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5-
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n/an/a 130n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH

Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50016231
PNG
(CHEMBL3262477)
Show SMILES COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1OCC(N)=O
Show InChI InChI=1S/C15H14N2O6S2/c1-22-9-3-2-8(4-10(9)23-7-12(16)18)5-11-14(21)17(6-13(19)20)15(24)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5-
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n/an/a 130n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH

Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM20460
PNG
((9Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10-
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n/an/a 160n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50049730
PNG
(2-(5-(2-methyl-3-phenylallylidene)-4-oxo-2-thioxot...)
Show SMILES C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
Show InChI InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-
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n/an/a 170n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH

Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))		BDBM50535888
PNG
(CHEMBL4527663)
Show SMILES COc1cc2CCN([C@@H](c3ccc(cc3)C(F)(F)F)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C37H34F6N2O5/c1-47-29-17-23-13-15-44(33(27(23)19-31(29)49-3)21-5-9-25(10-6-21)36(38,39)40)35(46)45-16-14-24-18-30(48-2)32(50-4)20-28(24)34(45)22-7-11-26(12-8-22)37(41,42)43/h5-12,17-20,33-34H,13-16H2,1-4H3/t33-,34-/m0/s1
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n/an/a 180n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium accumulation pr...

J Med Chem 59: 5661-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01448
BindingDB Entry DOI: 10.7270/Q2222Z8V
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463948
PNG
(CHEMBL4249973)
Show SMILES CCCCCCCCCCCCCCCC(=O)N\N=C\c1ccc(O)c(OC)c1
Show InChI InChI=1S/C24H40N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24(28)26-25-20-21-17-18-22(27)23(19-21)29-2/h17-20,27H,3-16H2,1-2H3,(H,26,28)/b25-20+
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National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))		BDBM50535866
PNG
(CHEMBL4588287)
Show SMILES COc1cc2CCN([C@@H](c3ccc(Cl)cc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C35H34Cl2N2O5/c1-41-29-17-23-13-15-38(33(27(23)19-31(29)43-3)21-5-9-25(36)10-6-21)35(40)39-16-14-24-18-30(42-2)32(44-4)20-28(24)34(39)22-7-11-26(37)12-8-22/h5-12,17-20,33-34H,13-16H2,1-4H3/t33-,34-/m0/s1
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National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium accumulation pr...

J Med Chem 59: 5661-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01448
BindingDB Entry DOI: 10.7270/Q2222Z8V
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1


(Rattus norvegicus)		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/a 450n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibition of allylisothiocyanate-induced Ca2+ response preincubated for 5 min...

Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00668
BindingDB Entry DOI: 10.7270/Q2ZW1QJH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463944
PNG
(CHEMBL1672687)
Show SMILES CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C30H51NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(33)31-26-27-23-24-28(32)29(25-27)34-2/h10-11,23-25,32H,3-9,12-22,26H2,1-2H3,(H,31,33)/b11-10-
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National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))		BDBM50535865
PNG
(CHEMBL4543647)
Show SMILES COc1cc2CCN([C@@H](c3ccccc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C35H36N2O5/c1-39-29-19-25-15-17-36(33(23-11-7-5-8-12-23)27(25)21-31(29)41-3)35(38)37-18-16-26-20-30(40-2)32(42-4)22-28(26)34(37)24-13-9-6-10-14-24/h5-14,19-22,33-34H,15-18H2,1-4H3/t33-,34-/m0/s1
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National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium accumulation pr...

J Med Chem 59: 5661-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01448
BindingDB Entry DOI: 10.7270/Q2222Z8V
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50016234
PNG
(CHEMBL3262474)
Show SMILES COc1cc(\C=C2/SC(=O)N(CC(O)=O)C2=O)ccc1OCC(N)=O
Show InChI InChI=1S/C15H14N2O7S/c1-23-10-4-8(2-3-9(10)24-7-12(16)18)5-11-14(21)17(6-13(19)20)15(22)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5-
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University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH

Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50016235
PNG
(CHEMBL3262473)
Show SMILES COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1OCC(N)=O
Show InChI InChI=1S/C15H14N2O7S/c1-23-9-3-2-8(4-10(9)24-7-12(16)18)5-11-14(21)17(6-13(19)20)15(22)25-11/h2-5H,6-7H2,1H3,(H2,16,18)(H,19,20)/b11-5-
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n/an/a 520n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH

Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50016236
PNG
(CHEMBL3262472)
Show SMILES NC(=O)COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1
Show InChI InChI=1S/C14H12N2O6S/c15-11(17)7-22-9-3-1-8(2-4-9)5-10-13(20)16(6-12(18)19)14(21)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5-
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n/an/a 560n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH

Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))		BDBM50535881
PNG
(CHEMBL4535906)
Show SMILES [H][C@@]12Cc3c(OC)c(C)c(OC)c(OC)c3[C@H](N1C(=O)\C(NC2=O)=C\c1cc(OC)c(OC)c(C)c1OC)c1ccccc1 |r|
Show InChI InChI=1S/C33H36N2O8/c1-17-27(39-4)20(15-24(38-3)29(17)41-6)14-22-33(37)35-23(32(36)34-22)16-21-25(26(35)19-12-10-9-11-13-19)31(43-8)30(42-7)18(2)28(21)40-5/h9-15,23,26H,16H2,1-8H3,(H,34,36)/b22-14-/t23-,26+/m0/s1
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n/an/a 620n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium accumulation pr...

J Med Chem 59: 5661-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01448
BindingDB Entry DOI: 10.7270/Q2222Z8V
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50056471
PNG
((9Z,12Z)-Octadeca-9,12-dienoic acid (2-hydroxy-eth...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-
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n/an/a 650n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463965
PNG
(CHEMBL1232565)
Show SMILES CCCCCCCC\C=C/CCCCCCCCCCCC(N)=O
Show InChI InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-
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n/an/a 670n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463962
PNG
(CHEMBL1672682)
Show SMILES CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCCO
Show InChI InChI=1S/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)/b10-9-
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n/an/a 740n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Heat sensitive channel TRPV3


(Rattus norvegicus)		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/a 750n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat TRPV3 expressed in HEK293 cells assessed as inhibition of thymol-induced Ca2+ response preincubated for 5 mins followed by...

Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00668
BindingDB Entry DOI: 10.7270/Q2ZW1QJH
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463951
PNG
(CHEMBL4243028)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C30H49NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(33)31-26-27-23-24-28(32)29(25-27)34-2/h7-8,10-11,23-25,32H,3-6,9,12-22,26H2,1-2H3,(H,31,33)/b8-7-,11-10-
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n/an/a 820n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM22988
PNG
((5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
Show InChI InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15-
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n/an/a 960n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463946
PNG
(CHEMBL4243663)
Show SMILES [#8]-[#6](=O)C(F)(F)F.[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])c(-[#8]-[#6])c1 |r|
Show InChI InChI=1S/C29H50N2O3Se.C2HF3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35-24-26(30)29(33)31-23-25-19-20-27(32)28(22-25)34-2;3-2(4,5)1(6)7/h10-11,19-20,22,26,32H,3-9,12-18,21,23-24,30H2,1-2H3,(H,31,33);(H,6,7)/b11-10-;/t26-;/m0./s1
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n/an/a 980n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM50016237
PNG
(CHEMBL3262471)
Show SMILES NC(=O)COc1cccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)c1
Show InChI InChI=1S/C14H12N2O6S/c15-11(17)7-22-9-3-1-2-8(4-9)5-10-13(20)16(6-12(18)19)14(21)23-10/h1-5H,6-7H2,(H2,15,17)(H,18,19)/b10-5-
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n/an/a 1.01E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH

Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		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/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ response preincubated for 5 mins followed by LP...

Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00668
BindingDB Entry DOI: 10.7270/Q2ZW1QJH
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50150483
PNG
((9Z,12Z)-Octadeca-9,12-dienoic acid amide | CHEMBL...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(N)=O
Show InChI InChI=1S/C18H33NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H2,19,20)/b7-6-,10-9-
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n/an/a 1.20E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463954
PNG
(CHEMBL4238836)
Show SMILES [#8]-[#6](=O)C(F)(F)F.[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])c(-[#8]-[#6])c1 |r|
Show InChI InChI=1S/C27H48N2O3Se.C2HF3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-22-24(28)27(31)29-21-23-17-18-25(30)26(20-23)32-2;3-2(4,5)1(6)7/h17-18,20,24,30H,3-16,19,21-22,28H2,1-2H3,(H,29,31);(H,6,7)/t24-;/m0./s1
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National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))		BDBM50535898
PNG
(CHEMBL4569657)
Show SMILES COc1ccc(CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2c2ccccc2)cc1OC
Show InChI InChI=1S/C28H32N2O5/c1-32-23-11-10-19(16-24(23)33-2)12-14-29-28(31)30-15-13-21-17-25(34-3)26(35-4)18-22(21)27(30)20-8-6-5-7-9-20/h5-11,16-18,27H,12-15H2,1-4H3,(H,29,31)
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n/an/a 1.20E+3n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPM8 expressed in HEK293 cells assessed as inhibition of icilin-induced intracellular calcium accumulation pr...

J Med Chem 59: 5661-83 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01448
BindingDB Entry DOI: 10.7270/Q2222Z8V
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463947
PNG
(CHEMBL4242482)
Show SMILES OC(=O)C(F)(F)F.CCCCCCCCCCCCCCCCOC(=O)CSC[C@H](N)C(=O)NCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C29H50N2O5S.C2HF3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-36-28(33)23-37-22-25(30)29(34)31-21-24-17-18-26(32)27(20-24)35-2;3-2(4,5)1(6)7/h17-18,20,25,32H,3-16,19,21-23,30H2,1-2H3,(H,31,34);(H,6,7)/t25-;/m0./s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463953
PNG
(CHEMBL4247743)
Show SMILES OC(=O)C(F)(F)F.CCCCCCCCCCCCCCCCSC[C@H](N)C(=O)NCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C27H48N2O3S.C2HF3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-22-24(28)27(31)29-21-23-17-18-25(30)26(20-23)32-2;3-2(4,5)1(6)7/h17-18,20,24,30H,3-16,19,21-22,28H2,1-2H3,(H,29,31);(H,6,7)/t24-;/m0./s1
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National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463958
PNG
(CHEMBL4246820)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]/[#6]\[#6]=[#6]/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6]-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])c(-[#8]-[#6])c1
Show InChI InChI=1S/C29H47NO3Se/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-23-21-29(32)30-25-26-19-20-27(31)28(24-26)33-2/h7-8,10-11,19-20,24,31H,3-6,9,12-18,21-23,25H2,1-2H3,(H,30,32)/b8-7-,11-10-
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National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50056471
PNG
((9Z,12Z)-Octadeca-9,12-dienoic acid (2-hydroxy-eth...)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h6-7,9-10,22H,2-5,8,11-19H2,1H3,(H,21,23)/b7-6-,10-9-
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n/an/a 1.40E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463970
PNG
(CHEMBL4241078)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCCSCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C29H47NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-23-21-29(32)30-25-26-19-20-27(31)28(24-26)33-2/h7-8,10-11,19-20,24,31H,3-6,9,12-18,21-23,25H2,1-2H3,(H,30,32)/b8-7-,11-10-
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National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463960
PNG
(CHEMBL4239872)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#8])-[#6]\[#6]=[#6]/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6]-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])c(-[#8]-[#6])c1 |r|
Show InChI InChI=1S/C29H49NO4Se/c1-3-4-5-13-16-26(31)17-14-11-9-7-6-8-10-12-15-21-35-22-20-29(33)30-24-25-18-19-27(32)28(23-25)34-2/h11,14,18-19,23,26,31-32H,3-10,12-13,15-17,20-22,24H2,1-2H3,(H,30,33)/b14-11-/t26-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463944
PNG
(CHEMBL1672687)
Show SMILES CCCCCCCC\C=C/CCCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C30H51NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(33)31-26-27-23-24-28(32)29(25-27)34-2/h10-11,23-25,32H,3-9,12-22,26H2,1-2H3,(H,31,33)/b11-10-
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n/an/a 1.50E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463963
PNG
(CHEBI:85252 | CHEMBL1482206)
Show SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NCCO
Show InChI InChI=1S/C24H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h3-4,6-7,9-10,12-13,15-16,18-19,26H,2,5,8,11,14,17,20-23H2,1H3,(H,25,27)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
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n/an/a 1.63E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463973
PNG
(CHEMBL4247440)
Show SMILES CCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h7-8,20H,2-6,9-17H2,1H3,(H,19,21)/b8-7-
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n/an/a 1.70E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM20460
PNG
((9Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10-
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n/an/a 1.70E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463946
PNG
(CHEMBL4243663)
Show SMILES [#8]-[#6](=O)C(F)(F)F.[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6@H](-[#7])-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])c(-[#8]-[#6])c1 |r|
Show InChI InChI=1S/C29H50N2O3Se.C2HF3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35-24-26(30)29(33)31-23-25-19-20-27(32)28(22-25)34-2;3-2(4,5)1(6)7/h10-11,19-20,22,26,32H,3-9,12-18,21,23-24,30H2,1-2H3,(H,31,33);(H,6,7)/b11-10-;/t26-;/m0./s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463959
PNG
(CHEMBL4251158)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#6]=[#6]/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6][Se;v2][#6]-[#6]-[#6](=O)-[#7]-[#6]-c1ccc(-[#8])c(-[#8]-[#6])c1
Show InChI InChI=1S/C29H49NO3Se/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-34-23-21-29(32)30-25-26-19-20-27(31)28(24-26)33-2/h10-11,19-20,24,31H,3-9,12-18,21-23,25H2,1-2H3,(H,30,32)/b11-10-
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n/an/a 1.80E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463951
PNG
(CHEMBL4243028)
Show SMILES CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
Show InChI InChI=1S/C30H49NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(33)31-26-27-23-24-28(32)29(25-27)34-2/h7-8,10-11,23-25,32H,3-6,9,12-22,26H2,1-2H3,(H,31,33)/b8-7-,11-10-
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n/an/a 1.80E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM29080
PNG
(CHEMBL280065 | N-oleoylethanolamine | Oleamide MEA...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)NCCO
Show InChI InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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n/an/a 1.80E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM50463979
PNG
(CHEMBL4250167)
Show SMILES OC(=O)C(F)(F)F.CCCCCCCC\C=C/CCCCCCCCSC[C@H](N)C(=O)NCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C29H50N2O3S.C2HF3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35-24-26(30)29(33)31-23-25-19-20-27(32)28(22-25)34-2;3-2(4,5)1(6)7/h10-11,19-20,22,26,32H,3-9,12-18,21,23-24,30H2,1-2H3,(H,31,33);(H,6,7)/b11-10-;/t26-;/m0./s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))		BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of Messina

Curated by ChEMBL


Assay Description
Inhibition of bovine aldose reductase assessed as oxidation of NADPH

Eur J Med Chem 81: 1-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.003
BindingDB Entry DOI: 10.7270/Q2833TJC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM23028
PNG
((9Z)-octadec-9-enamide | 14C-labeled oleamide | CH...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(N)=O
Show InChI InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
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n/an/a 2.10E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 2


(Rattus norvegicus)		BDBM23028
PNG
((9Z)-octadec-9-enamide | 14C-labeled oleamide | CH...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(N)=O
Show InChI InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)/b10-9-
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n/an/a 2.10E+3n/an/an/an/an/an/a



National Research Council (CNR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...

J Med Chem 61: 8255-8281 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00734
BindingDB Entry DOI: 10.7270/Q2222XFP
More data for this
Ligand-Target Pair
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