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Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'roncero' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily M member 8


(Rattus norvegicus (Rat))
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
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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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 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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n/an/a 430n/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 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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n/an/a 500n/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 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 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 M member 8


(Rattus norvegicus (Rat))
BDBM50535862
PNG
(CHEMBL4532169)
Show SMILES COc1cc2CCN([C@@H](c3ccc(Br)cc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C35H34Br2N2O5/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 2.20E+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 M member 8


(Rattus norvegicus (Rat))
BDBM50535861
PNG
(CHEMBL4560497)
Show SMILES [H][C@@]12Cc3c(OC)c(C)c(OC)c(OC)c3[C@H](\C=C\c3ccccc3)N1C(=O)[C@H](Cc1cc(OC)c(OC)c(C)c1OC)NC2=O |r|
Show InChI InChI=1S/C35H40N2O8/c1-19-29(41-4)22(17-27(40-3)31(19)43-6)16-24-35(39)37-25(15-14-21-12-10-9-11-13-21)28-23(18-26(37)34(38)36-24)30(42-5)20(2)32(44-7)33(28)45-8/h9-15,17,24-26H,16,18H2,1-8H3,(H,36,38)/b15-14+/t24-,25-,26-/m0/s1
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n/an/a 3.20E+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 M member 8


(Rattus norvegicus (Rat))
BDBM50535868
PNG
(CHEMBL4518005)
Show SMILES CCC[C@@H]1N(CCc2cc(OC)c(OC)cc12)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1CCC |r|
Show InChI InChI=1S/C29H40N2O5/c1-7-9-23-21-17-27(35-5)25(33-3)15-19(21)11-13-30(23)29(32)31-14-12-20-16-26(34-4)28(36-6)18-22(20)24(31)10-8-2/h15-18,23-24H,7-14H2,1-6H3/t23-,24-/m0/s1
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n/an/a 8.50E+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 M member 8


(Rattus norvegicus (Rat))
BDBM50535883
PNG
(CHEMBL4587990)
Show SMILES [H][C@@]12Cc3c(OC)c(C)c(OC)c(OC)c3[C@H](\C=C\c3ccccc3)N1C(=O)[C@]1([H])Cc3c(OC)c(C)c(OC)c(OC)c3[C@H](\C=C\c3ccccc3)N1C2=O |r|
Show InChI InChI=1S/C44H46N2O8/c1-25-37(49-3)29-23-33-43(47)46-32(22-20-28-17-13-10-14-18-28)36-30(38(50-4)26(2)40(52-6)42(36)54-8)24-34(46)44(48)45(33)31(21-19-27-15-11-9-12-16-27)35(29)41(53-7)39(25)51-5/h9-22,31-34H,23-24H2,1-8H3/b21-19+,22-20+/t31-,32-,33-,34-/m0/s1
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n/an/a 8.80E+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 A member 1


(Rattus norvegicus)
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
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 1.00E+4n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced intracellular calcium accumulation prei...


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 M member 8


(Rattus norvegicus (Rat))
BDBM50535871
PNG
(CHEMBL4565937)
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+
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n/an/a 1.06E+4n/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)
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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n/an/a 1.24E+4n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced intracellular calcium accumulation prein...


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 M member 8


(Rattus norvegicus (Rat))
BDBM50535885
PNG
(CHEMBL4586770)
Show SMILES [H][C@@]12Cc3cc(OC)c(OC)cc3[C@H](N1C(=O)\C(NC2=O)=C\c1ccc(OC)c(OC)c1)c1ccccc1 |r|
Show InChI InChI=1S/C29H28N2O6/c1-34-23-11-10-17(13-24(23)35-2)12-21-29(33)31-22(28(32)30-21)14-19-15-25(36-3)26(37-4)16-20(19)27(31)18-8-6-5-7-9-18/h5-13,15-16,22,27H,14H2,1-4H3,(H,30,32)/b21-12-/t22-,27+/m0/s1
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n/an/a 1.28E+4n/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 A member 1


(Rattus norvegicus)
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
PDB

KEGG

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n/an/a 1.42E+4n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced intracellular calcium accumulation prei...


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)
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
PDB

KEGG

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n/an/a 1.64E+4n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced intracellular calcium accumulation prei...


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 M member 8


(Rattus norvegicus (Rat))
BDBM50535890
PNG
(CHEMBL4532676)
Show SMILES COc1cc2CCN([C@@H](c3ccccc3Cl)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1Cl |r|
Show InChI InChI=1S/C35H34Cl2N2O5/c1-41-29-17-21-13-15-38(33(25(21)19-31(29)43-3)23-9-5-7-11-27(23)36)35(40)39-16-14-22-18-30(42-2)32(44-4)20-26(22)34(39)24-10-6-8-12-28(24)37/h5-12,17-20,33-34H,13-16H2,1-4H3/t33-,34-/m0/s1
PDB

UniProtKB/SwissProt

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n/an/a 1.98E+4n/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 M member 8


(Rattus norvegicus (Rat))
BDBM50535889
PNG
(CHEMBL4542012)
Show SMILES COc1cc2CCN=C(c3cccc(n3)-c3cccc(c3)[N+]([O-])=O)c2cc1OC |t:7|
Show InChI InChI=1S/C22H19N3O4/c1-28-20-12-14-9-10-23-22(17(14)13-21(20)29-2)19-8-4-7-18(24-19)15-5-3-6-16(11-15)25(26)27/h3-8,11-13H,9-10H2,1-2H3
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n/an/a 2.29E+4n/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 A member 1


(Rattus norvegicus)
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
PDB

KEGG

UniProtKB/SwissProt

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n/an/a 2.39E+4n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPA1 expressed in HEK293 cells assessed as inhibition of AITC-induced intracellular calcium accumulation prei...


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 M member 8


(Rattus norvegicus (Rat))
BDBM50535882
PNG
(CHEMBL4531116)
Show SMILES [H][C@@]12Cc3c(OC)ccc(OC)c3[C@@H](\C=C\c3ccccc3)N1C(=O)[C@H](Cc1cc(OC)ccc1OC)NC2=O |r|
Show InChI InChI=1S/C31H32N2O6/c1-36-21-11-13-26(37-2)20(16-21)17-23-31(35)33-24(12-10-19-8-6-5-7-9-19)29-22(18-25(33)30(34)32-23)27(38-3)14-15-28(29)39-4/h5-16,23-25H,17-18H2,1-4H3,(H,32,34)/b12-10+/t23-,24+,25-/m0/s1
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n/an/a 3.06E+4n/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 M member 8


(Rattus norvegicus (Rat))
BDBM50535876
PNG
(CHEMBL4541861)
Show SMILES COc1ccc(CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2c2ccc(Cl)cc2)cc1OC
Show InChI InChI=1S/C28H31ClN2O5/c1-33-23-10-5-18(15-24(23)34-2)11-13-30-28(32)31-14-12-20-16-25(35-3)26(36-4)17-22(20)27(31)19-6-8-21(29)9-7-19/h5-10,15-17,27H,11-14H2,1-4H3,(H,30,32)
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n/an/a 3.17E+4n/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
Heat sensitive channel TRPV3


(Rattus norvegicus)
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
PDB

UniProtKB/TrEMBL

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n/an/a 3.43E+4n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV3 expressed in HEK293 cells assessed as inhibition of thymol-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 M member 8


(Rattus norvegicus (Rat))
BDBM50535887
PNG
(CHEMBL4550283)
Show SMILES [H][C@@]12Cc3cc(OC)c(OC)cc3[C@H](N1C(=O)\C(NC2=O)=C\c1ccc(OC)c(OC)c1)c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C29H27N3O8/c1-37-23-9-8-16(11-24(23)38-2)10-21-29(34)31-22(28(33)30-21)13-18-14-25(39-3)26(40-4)15-20(18)27(31)17-6-5-7-19(12-17)32(35)36/h5-12,14-15,22,27H,13H2,1-4H3,(H,30,33)/b21-10-/t22-,27+/m0/s1
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n/an/a 3.52E+4n/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 M member 8


(Rattus norvegicus (Rat))
BDBM50535880
PNG
(CHEMBL4571465)
Show SMILES [H][C@@]12Cc3cc(OC)c(OC)cc3[C@H](N1C(=O)\C(NC2=O)=C\c1ccc(OC)c(OC)c1)c1ccccc1Cl |r|
Show InChI InChI=1S/C29H27ClN2O6/c1-35-23-10-9-16(12-24(23)36-2)11-21-29(34)32-22(28(33)31-21)13-17-14-25(37-3)26(38-4)15-19(17)27(32)18-7-5-6-8-20(18)30/h5-12,14-15,22,27H,13H2,1-4H3,(H,31,33)/b21-11-/t22-,27+/m0/s1
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n/an/a 3.93E+4n/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 M member 8


(Rattus norvegicus (Rat))
BDBM50535891
PNG
(CHEMBL4556513)
Show SMILES [H][C@@]12Cc3cc(OC)c(OC)cc3[C@H](N1C(=O)\C(NC2=O)=C\c1ccc(OC)c(OC)c1)c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C29H27BrN2O6/c1-35-23-10-5-16(12-24(23)36-2)11-21-29(34)32-22(28(33)31-21)13-18-14-25(37-3)26(38-4)15-20(18)27(32)17-6-8-19(30)9-7-17/h5-12,14-15,22,27H,13H2,1-4H3,(H,31,33)/b21-11-/t22-,27+/m0/s1
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n/an/a 4.24E+4n/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 M member 8


(Rattus norvegicus (Rat))
BDBM50535863
PNG
(CHEMBL4547566)
Show SMILES COc1cc2CCN([C@@H](c3cccc(n3)-c3cccc(c3)[N+]([O-])=O)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(n1)-c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C45H40N6O9/c1-57-39-23-27-17-19-48(43(33(27)25-41(39)59-3)37-15-7-13-35(46-37)29-9-5-11-31(21-29)50(53)54)45(52)49-20-18-28-24-40(58-2)42(60-4)26-34(28)44(49)38-16-8-14-36(47-38)30-10-6-12-32(22-30)51(55)56/h5-16,21-26,43-44H,17-20H2,1-4H3/t43-,44-/m1/s1
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n/an/a 4.37E+4n/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 M member 8


(Rattus norvegicus (Rat))
BDBM50535892
PNG
(CHEMBL4551218)
Show SMILES COc1cc2CCN([C@@H](c3cccc(c3)[N+]([O-])=O)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C35H34N4O9/c1-45-29-17-21-11-13-36(33(27(21)19-31(29)47-3)23-7-5-9-25(15-23)38(41)42)35(40)37-14-12-22-18-30(46-2)32(48-4)20-28(22)34(37)24-8-6-10-26(16-24)39(43)44/h5-10,15-20,33-34H,11-14H2,1-4H3/t33-,34-/m0/s1
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n/an/a 4.44E+4n/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 M member 8


(Rattus norvegicus (Rat))
BDBM50535895
PNG
(CHEMBL4546696)
Show SMILES COc1ccc(CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2c2ccccc2Cl)cc1OC
Show InChI InChI=1S/C28H31ClN2O5/c1-33-23-10-9-18(15-24(23)34-2)11-13-30-28(32)31-14-12-19-16-25(35-3)26(36-4)17-21(19)27(31)20-7-5-6-8-22(20)29/h5-10,15-17,27H,11-14H2,1-4H3,(H,30,32)
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n/an/a 4.61E+4n/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 M member 8


(Rattus norvegicus (Rat))
BDBM50535877
PNG
(CHEMBL4586930)
Show SMILES COc1ccc(CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2c2ccc(Br)cc2)cc1OC
Show InChI InChI=1S/C28H31BrN2O5/c1-33-23-10-5-18(15-24(23)34-2)11-13-30-28(32)31-14-12-20-16-25(35-3)26(36-4)17-22(20)27(31)19-6-8-21(29)9-7-19/h5-10,15-17,27H,11-14H2,1-4H3,(H,30,32)
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n/an/a 4.82E+4n/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 1


(Homo sapiens (Human))
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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n/an/a 4.97E+4n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular calcium accumulati...


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 M member 8


(Rattus norvegicus (Rat))
BDBM50535886
PNG
(CHEMBL4589371)
Show SMILES COc1cc2CCN(C(c3ccc(cc3)C(F)(F)F)c2cc1OC)C(C)=O
Show InChI InChI=1S/C20H20F3NO3/c1-12(25)24-9-8-14-10-17(26-2)18(27-3)11-16(14)19(24)13-4-6-15(7-5-13)20(21,22)23/h4-7,10-11,19H,8-9H2,1-3H3
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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535884
PNG
(CHEMBL4551621)
Show SMILES COc1cc2CCN([C@@H](c3ccc(cc3)[N+]([O-])=O)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C35H34N4O9/c1-45-29-17-23-13-15-36(33(27(23)19-31(29)47-3)21-5-9-25(10-6-21)38(41)42)35(40)37-16-14-24-18-30(46-2)32(48-4)20-28(24)34(37)22-7-11-26(12-8-22)39(43)44/h5-12,17-20,33-34H,13-16H2,1-4H3/t33-,34-/m0/s1
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n/an/a>5.00E+4n/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 M member 8


(Rattus norvegicus (Rat))
BDBM50535864
PNG
(CHEMBL4517593)
Show SMILES COc1cc2CCNC(c2cc1OC)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C17H17N3O6/c1-25-15-7-10-5-6-18-17(13(10)9-16(15)26-2)12-4-3-11(19(21)22)8-14(12)20(23)24/h3-4,7-9,17-18H,5-6H2,1-2H3
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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535879
PNG
(CHEMBL4518141)
Show SMILES COc1cc2CCNC(c3cccc(n3)-c3cccc(c3)[N+]([O-])=O)c2cc1OC
Show InChI InChI=1S/C22H21N3O4/c1-28-20-12-14-9-10-23-22(17(14)13-21(20)29-2)19-8-4-7-18(24-19)15-5-3-6-16(11-15)25(26)27/h3-8,11-13,22-23H,9-10H2,1-2H3
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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535878
PNG
(CHEMBL52780)
Show SMILES COc1cc2CCNC(c3ccc(Cl)cc3)c2cc1OC
Show InChI InChI=1S/C17H18ClNO2/c1-20-15-9-12-7-8-19-17(14(12)10-16(15)21-2)11-3-5-13(18)6-4-11/h3-6,9-10,17,19H,7-8H2,1-2H3
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n/an/a>5.00E+4n/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 M member 8


(Rattus norvegicus (Rat))
BDBM50535875
PNG
(CHEMBL4529864)
Show SMILES COc1ccc(CCNC(=O)N2CCc3cc(OC)c(OC)cc3C2c2cccc(c2)[N+]([O-])=O)cc1OC
Show InChI InChI=1S/C28H31N3O7/c1-35-23-9-8-18(14-24(23)36-2)10-12-29-28(32)30-13-11-19-16-25(37-3)26(38-4)17-22(19)27(30)20-6-5-7-21(15-20)31(33)34/h5-9,14-17,27H,10-13H2,1-4H3,(H,29,32)
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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535874
PNG
(CHEMBL4584334)
Show SMILES CCCC1N(CCc2cc(OC)c(OC)cc12)C(=O)NCCc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C25H34N2O5/c1-6-7-20-19-16-24(32-5)23(31-4)15-18(19)11-13-27(20)25(28)26-12-10-17-8-9-21(29-2)22(14-17)30-3/h8-9,14-16,20H,6-7,10-13H2,1-5H3,(H,26,28)
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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535873
PNG
(CHEMBL4515678)
Show SMILES COc1cc2CCN([C@@H](c3ccc4ccccc4c3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C43H40N2O5/c1-47-37-23-31-17-19-44(41(35(31)25-39(37)49-3)33-15-13-27-9-5-7-11-29(27)21-33)43(46)45-20-18-32-24-38(48-2)40(50-4)26-36(32)42(45)34-16-14-28-10-6-8-12-30(28)22-34/h5-16,21-26,41-42H,17-20H2,1-4H3/t41-,42-/m0/s1
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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535872
PNG
(CHEMBL4524624)
Show SMILES COc1cc2CCN([C@@H](c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1 |r|
Show InChI InChI=1S/C47H42N4O11/c1-57-41-25-31-21-23-48(45(39(31)27-43(41)59-3)29-5-13-35(14-6-29)61-37-17-9-33(10-18-37)50(53)54)47(52)49-24-22-32-26-42(58-2)44(60-4)28-40(32)46(49)30-7-15-36(16-8-30)62-38-19-11-34(12-20-38)51(55)56/h5-20,25-28,45-46H,21-24H2,1-4H3/t45-,46-/m0/s1
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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535870
PNG
(CHEMBL4517677)
Show SMILES COc1cc2CCN([C@H](c2cc1OC)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |r|
Show InChI InChI=1S/C35H32N6O13/c1-51-29-13-19-9-11-36(33(25(19)17-31(29)53-3)23-7-5-21(38(43)44)15-27(23)40(47)48)35(42)37-12-10-20-14-30(52-2)32(54-4)18-26(20)34(37)24-8-6-22(39(45)46)16-28(24)41(49)50/h5-8,13-18,33-34H,9-12H2,1-4H3/t33-,34-/m0/s1
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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535867
PNG
(CHEMBL4583517)
Show SMILES COc1ccc(CCNC(=O)NCCc2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C21H28N2O5/c1-25-17-7-5-15(13-19(17)27-3)9-11-22-21(24)23-12-10-16-6-8-18(26-2)20(14-16)28-4/h5-8,13-14H,9-12H2,1-4H3,(H2,22,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535899
PNG
(CHEMBL4549097)
Show SMILES CCC1N(CCc2cc(OC)c(OC)cc12)C(=O)NCCc1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H32N2O5/c1-6-19-18-15-23(31-5)22(30-4)14-17(18)10-12-26(19)24(27)25-11-9-16-7-8-20(28-2)21(13-16)29-3/h7-8,13-15,19H,6,9-12H2,1-5H3,(H,25,27)
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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535897
PNG
(CHEMBL4563916)
Show SMILES COc1cc(C[C@@H]2NC(=O)[C@H](Cc3cc(OC)c(OC)c(C)c3OC)NC2=O)c(OC)c(C)c1OC |r|
Show InChI InChI=1S/C26H34N2O8/c1-13-21(33-5)15(11-19(31-3)23(13)35-7)9-17-25(29)28-18(26(30)27-17)10-16-12-20(32-4)24(36-8)14(2)22(16)34-6/h11-12,17-18H,9-10H2,1-8H3,(H,27,30)(H,28,29)/t17-,18-/m0/s1
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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535896
PNG
(CHEMBL4562665)
Show SMILES CCC(c1cc(OC)c(OC)cc1CCNC(=O)N1CCc2cc(OC)c(OC)cc2C1CC)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C34H44N2O7S/c1-8-28-26-20-31(42-6)30(41-5)19-24(26)15-17-36(28)34(37)35-16-14-23-18-29(40-4)32(43-7)21-27(23)33(9-2)44(38,39)25-12-10-22(3)11-13-25/h10-13,18-21,28,33H,8-9,14-17H2,1-7H3,(H,35,37)
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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535894
PNG
(CHEMBL4588160)
Show SMILES COc1cc2CCN([C@@H](c3ccc(Oc4ccc(cc4)[N+]([O-])=O)cc3)c2cc1OC)C(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1 |r|
Show InChI InChI=1S/C47H42N4O11/c1-57-41-25-31-21-23-48(45(39(31)27-43(41)59-3)29-5-13-35(14-6-29)61-37-17-9-33(10-18-37)50(53)54)47(52)49-24-22-32-26-42(58-2)44(60-4)28-40(32)46(49)30-7-15-36(16-8-30)62-38-19-11-34(12-20-38)51(55)56/h5-20,25-28,45-46H,21-24H2,1-4H3/t45-,46+
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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 M member 8


(Rattus norvegicus (Rat))
BDBM50535893
PNG
(CHEMBL4569876)
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+
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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)
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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n/an/a 5.19E+4n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced intracellular calcium accumulation prein...


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 1


(Homo sapiens (Human))
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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n/an/a 5.30E+4n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular calcium accumulati...


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)
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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n/an/a 5.49E+4n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced intracellular calcium accumulation prein...


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 1


(Homo sapiens (Human))
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 6.85E+4n/an/an/an/an/an/a



National Research Council

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human TRPV1 expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular calcium accumulati...


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
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