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Compile Data Set for Download or QSAR

Found 45 hits with Last Name = 'kyu choi' and Initial = 'j'   
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
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 26.2n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50422584
PNG
(CHEMBL69026)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1ccccc1F |(6.09,-11.72,;6.07,-10.18,;5.68,-8.7,;7.4,-9.41,;4.74,-9.41,;4.74,-7.87,;3.41,-7.1,;2.08,-7.89,;2.08,-9.43,;3.41,-10.18,;.75,-7.12,;-.6,-7.89,;-1.93,-7.12,;-3.26,-7.89,;-4.59,-7.12,;-4.59,-5.58,;-3.26,-4.81,;-1.93,-5.58,;-.6,-4.79,;-.6,-3.25,;.75,-5.56,;2.08,-4.78,;3.41,-5.55,;4.74,-4.77,;4.72,-3.23,;3.37,-2.46,;2.05,-3.25,;.71,-2.48,)|
Show InChI InChI=1S/C22H15FO4S/c1-28(25,26)15-12-10-14(11-13-15)22-20(16-6-2-4-8-18(16)23)21(24)17-7-3-5-9-19(17)27-22/h2-13H,1H3
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n/an/a 76.1n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410060
PNG
(CHEMBL308692)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1ccc(c(F)c1)-c1ccccc1
Show InChI InChI=1S/C24H16ClFO4S/c1-31(28,29)18-10-7-16(8-11-18)24-22(23(27)20(25)14-30-24)17-9-12-19(21(26)13-17)15-5-3-2-4-6-15/h2-14H,1H3
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n/an/a 87.9n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50220685
PNG
(CHEMBL410891)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H17ClO4S/c1-30(27,28)20-13-11-19(12-14-20)24-22(23(26)21(25)15-29-24)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3
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n/an/a 91.6n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM20315
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(4-methanesulfon...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H27N3O2S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)22-14-16-7-11-18(12-8-16)23-27(4,24)25/h5-12,23H,13-14H2,1-4H3,(H2,21,22,26)
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n/an/a 110n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223778
PNG
(CHEMBL164875)
Show SMILES COc1cc(C\N=C(/S)NCc2ccc(cc2)C(C)(C)C)ccc1OS(C)(=O)=O
Show InChI InChI=1S/C21H28N2O4S2/c1-21(2,3)17-9-6-15(7-10-17)13-22-20(28)23-14-16-8-11-18(19(12-16)26-4)27-29(5,24)25/h6-12H,13-14H2,1-5H3,(H2,22,23,28)
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n/an/a 300n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM20284
PNG
(CHEMBL391997 | CPZ | Capsazepine | N-[2-(4-chlorop...)
Show SMILES Oc1cc2CCCN(Cc2cc1O)C(=S)NCCc1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25)
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n/an/a 650n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410076
PNG
(CHEMBL304793)
Show SMILES CCc1ccc(cc1)-c1c(occ(Cl)c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C20H17ClO4S/c1-3-13-4-6-14(7-5-13)18-19(22)17(21)12-25-20(18)15-8-10-16(11-9-15)26(2,23)24/h4-12H,3H2,1-2H3
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n/an/a 720n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50219953
PNG
(CHEMBL307787)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1ccsc1
Show InChI InChI=1S/C16H11ClO4S2/c1-23(19,20)12-4-2-10(3-5-12)16-14(11-6-7-22-9-11)15(18)13(17)8-21-16/h2-9H,1H3
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n/an/a 736n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410065
PNG
(CHEMBL69567)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=S)c1-c1ccc(F)cc1
Show InChI InChI=1S/C18H12ClFO3S2/c1-25(21,22)14-8-4-12(5-9-14)17-16(18(24)15(19)10-23-17)11-2-6-13(20)7-3-11/h2-10H,1H3
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n/an/a 835n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410073
PNG
(CHEMBL70296)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H12Cl2O4S/c1-25(22,23)14-8-4-12(5-9-14)18-16(17(21)15(20)10-24-18)11-2-6-13(19)7-3-11/h2-10H,1H3
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n/an/a 936n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50139640
PNG
(CHEMBL165272 | N-4-Substituted-benzyl-N'-tert-buty...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(N)(=O)=O)cc2)cc1
Show InChI InChI=1S/C19H26N4O2S2/c1-19(2,3)16-8-4-14(5-9-16)12-21-18(26)22-13-15-6-10-17(11-7-15)23-27(20,24)25/h4-11,23H,12-13H2,1-3H3,(H2,20,24,25)(H2,21,22,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410064
PNG
(CHEMBL72352)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1ccccc1
Show InChI InChI=1S/C18H13ClO4S/c1-24(21,22)14-9-7-13(8-10-14)18-16(12-5-3-2-4-6-12)17(20)15(19)11-23-18/h2-11H,1H3
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n/an/a 1.08E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410068
PNG
(CHEMBL70264)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1ccc(F)c(F)c1
Show InChI InChI=1S/C18H11ClF2O4S/c1-26(23,24)12-5-2-10(3-6-12)18-16(17(22)13(19)9-25-18)11-4-7-14(20)15(21)8-11/h2-9H,1H3
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n/an/a 1.23E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50422579
PNG
(CHEMBL307981)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccc(F)cc2c(=O)c1-c1cccnc1
Show InChI InChI=1S/C21H14FNO4S/c1-28(25,26)16-7-4-13(5-8-16)21-19(14-3-2-10-23-12-14)20(24)17-11-15(22)6-9-18(17)27-21/h2-12H,1H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223786
PNG
(CHEMBL165036)
Show SMILES CCS(=O)(=O)Nc1ccc(C\N=C(/S)NCc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C21H29N3O2S2/c1-5-28(25,26)24-19-12-8-17(9-13-19)15-23-20(27)22-14-16-6-10-18(11-7-16)21(2,3)4/h6-13,24H,5,14-15H2,1-4H3,(H2,22,23,27)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50422569
PNG
(CHEMBL72000)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1oc2ccccc2c(=O)c1-c1cccnc1
Show InChI InChI=1S/C21H15NO4S/c1-27(24,25)16-10-8-14(9-11-16)21-19(15-5-4-12-22-13-15)20(23)17-6-2-3-7-18(17)26-21/h2-13H,1H3
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n/an/a 1.32E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410069
PNG
(CHEMBL67759)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1ccc(F)cc1F |(6.77,-12.09,;6.77,-10.55,;8.1,-9.78,;6.37,-9.06,;5.44,-9.78,;5.42,-8.24,;4.09,-7.47,;2.78,-8.24,;2.76,-9.78,;4.09,-10.55,;1.43,-7.47,;.1,-8.24,;-1.23,-7.47,;-1.23,-5.93,;-2.56,-5.16,;.1,-5.16,;.09,-3.62,;1.43,-5.93,;2.76,-5.16,;4.09,-5.93,;5.42,-5.16,;5.42,-3.6,;6.75,-2.83,;4.07,-2.85,;2.75,-3.62,;1.66,-2.53,)|
Show InChI InChI=1S/C18H11ClF2O4S/c1-26(23,24)12-5-2-10(3-6-12)18-16(17(22)14(19)9-25-18)13-7-4-11(20)8-15(13)21/h2-9H,1H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410066
PNG
(CHEMBL68972)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1cccc(Cl)c1
Show InChI InChI=1S/C18H12Cl2O4S/c1-25(22,23)14-7-5-11(6-8-14)18-16(17(21)15(20)10-24-18)12-3-2-4-13(19)9-12/h2-10H,1H3
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n/an/a 1.41E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410071
PNG
(CHEMBL306673)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1cccc(F)c1
Show InChI InChI=1S/C18H12ClFO4S/c1-25(22,23)14-7-5-11(6-8-14)18-16(17(21)15(19)10-24-18)12-3-2-4-13(20)9-12/h2-10H,1H3
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n/an/a 1.42E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410074
PNG
(CHEMBL68866)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C18H12ClFO4S/c1-25(22,23)14-8-4-12(5-9-14)18-16(17(21)15(19)10-24-18)11-2-6-13(20)7-3-11/h2-10H,1H3
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n/an/a 1.47E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223825
PNG
(CHEMBL351511)
Show SMILES CC(C)(C)c1ccc(C\N=C(/S)NCc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)cc1
Show InChI InChI=1S/C26H31N3O2S2/c1-26(2,3)23-13-9-20(10-14-23)17-27-25(32)28-18-21-11-15-24(16-12-21)29-33(30,31)19-22-7-5-4-6-8-22/h4-16,29H,17-19H2,1-3H3,(H2,27,28,32)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410072
PNG
(CHEMBL71423)
Show SMILES Cc1ccc(cc1)-c1c(occ(Cl)c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15ClO4S/c1-12-3-5-13(6-4-12)17-18(21)16(20)11-24-19(17)14-7-9-15(10-8-14)25(2,22)23/h3-11H,1-2H3
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n/an/a 1.76E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410067
PNG
(CHEMBL306639)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occc(=O)c1-c1ccc(F)cc1
Show InChI InChI=1S/C18H13FO4S/c1-24(21,22)15-8-4-13(5-9-15)18-17(16(20)10-11-23-18)12-2-6-14(19)7-3-12/h2-11H,1H3
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n/an/a 2.23E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410075
PNG
(CHEMBL68873)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1cc(F)cc(F)c1
Show InChI InChI=1S/C18H11ClF2O4S/c1-26(23,24)14-4-2-10(3-5-14)18-16(17(22)15(19)9-25-18)11-6-12(20)8-13(21)7-11/h2-9H,1H3
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n/an/a 2.34E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223785
PNG
(CHEMBL163834)
Show SMILES CN(c1ccc(C\N=C(/S)NCc2ccc(cc2)C(C)(C)C)cc1)S(C)(=O)=O
Show InChI InChI=1S/C21H29N3O2S2/c1-21(2,3)18-10-6-16(7-11-18)14-22-20(27)23-15-17-8-12-19(13-9-17)24(4)28(5,25)26/h6-13H,14-15H2,1-5H3,(H2,22,23,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223779
PNG
(CHEMBL167960)
Show SMILES CNS(=O)(=O)Nc1ccc(C\N=C(/S)NCc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C20H28N4O2S2/c1-20(2,3)17-9-5-15(6-10-17)13-22-19(27)23-14-16-7-11-18(12-8-16)24-28(25,26)21-4/h5-12,21,24H,13-14H2,1-4H3,(H2,22,23,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223823
PNG
(CHEMBL355156)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(C\N=C(/S)NCc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C22H31N3O2S2/c1-16(2)29(26,27)25-20-12-8-18(9-13-20)15-24-21(28)23-14-17-6-10-19(11-7-17)22(3,4)5/h6-13,16,25H,14-15H2,1-5H3,(H2,23,24,28)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223775
PNG
(CHEMBL165254)
Show SMILES CCCCS(=O)(=O)Nc1ccc(C\N=C(/S)NCc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C23H33N3O2S2/c1-5-6-15-30(27,28)26-21-13-9-19(10-14-21)17-25-22(29)24-16-18-7-11-20(12-8-18)23(2,3)4/h7-14,26H,5-6,15-17H2,1-4H3,(H2,24,25,29)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223822
PNG
(CHEMBL434280)
Show SMILES CCCS(=O)(=O)Nc1ccc(C\N=C(/S)NCc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C22H31N3O2S2/c1-5-14-29(26,27)25-20-12-8-18(9-13-20)16-24-21(28)23-15-17-6-10-19(11-7-17)22(2,3)4/h6-13,25H,5,14-16H2,1-4H3,(H2,23,24,28)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410063
PNG
(CHEMBL309156)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1ccccc1F |(6.77,-12.09,;6.77,-10.55,;6.37,-9.06,;8.1,-9.78,;5.44,-9.78,;5.42,-8.24,;4.09,-7.47,;2.78,-8.24,;2.76,-9.78,;4.09,-10.55,;1.43,-7.47,;.1,-8.24,;-1.23,-7.47,;-1.23,-5.93,;-2.56,-5.16,;.1,-5.16,;.09,-3.62,;1.43,-5.93,;2.76,-5.16,;4.09,-5.93,;5.42,-5.16,;5.42,-3.6,;4.07,-2.85,;2.75,-3.62,;1.41,-2.85,)|
Show InChI InChI=1S/C18H12ClFO4S/c1-25(22,23)12-8-6-11(7-9-12)18-16(17(21)14(19)10-24-18)13-4-2-3-5-15(13)20/h2-10H,1H3
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n/an/a 6.33E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410070
PNG
(CHEMBL69683)
Show SMILES COc1ccc(cc1)-c1c(occ(Cl)c1=O)-c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C19H15ClO5S/c1-24-14-7-3-12(4-8-14)17-18(21)16(20)11-25-19(17)13-5-9-15(10-6-13)26(2,22)23/h3-11H,1-2H3
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n/an/a 6.90E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))
BDBM50410061
PNG
(CHEMBL69030)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1occ(Cl)c(=O)c1-c1cccnc1
Show InChI InChI=1S/C17H12ClNO4S/c1-24(21,22)13-6-4-11(5-7-13)17-15(12-3-2-8-19-9-12)16(20)14(18)10-23-17/h2-10H,1H3
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n/an/a 7.18E+3n/an/an/an/an/an/a



Pharmaceutical& Health Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Prostaglandin G/H synthase 2 from freshly harvested mouse peritoneal macrophages


Bioorg Med Chem Lett 14: 2195-8 (2004)


BindingDB Entry DOI: 10.7270/Q2K939PT
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223780
PNG
(CHEMBL166987)
Show SMILES CC(C)(C)c1ccc(C\N=C(/S)NCc2ccc(OS(C)(=O)=O)cc2)cc1
Show InChI InChI=1S/C20H26N2O3S2/c1-20(2,3)17-9-5-15(6-10-17)13-21-19(26)22-14-16-7-11-18(12-8-16)25-27(4,23)24/h5-12H,13-14H2,1-4H3,(H2,21,22,26)
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n/an/a 9.30E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223824
PNG
(CHEMBL168070)
Show SMILES CC(C)(C)c1ccc(C\N=C(/S)NCc2ccc(NS(=O)(=O)CC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C21H26F3N3O2S2/c1-20(2,3)17-8-4-15(5-9-17)12-25-19(30)26-13-16-6-10-18(11-7-16)27-31(28,29)14-21(22,23)24/h4-11,27H,12-14H2,1-3H3,(H2,25,26,30)
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n/an/a 1.17E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223777
PNG
(CHEMBL163678)
Show SMILES CC(C)(C)c1ccc(C\N=C(/S)NCc2ccc(NS(=O)(=O)C(F)(F)F)cc2)cc1
Show InChI InChI=1S/C20H24F3N3O2S2/c1-19(2,3)16-8-4-14(5-9-16)12-24-18(29)25-13-15-6-10-17(11-7-15)26-30(27,28)20(21,22)23/h4-11,26H,12-13H2,1-3H3,(H2,24,25,29)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223784
PNG
(CHEMBL164380)
Show SMILES CC(C)(C)c1ccc(C\N=C(/S)NCc2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C20H23F3N2S/c1-19(2,3)16-8-4-14(5-9-16)12-24-18(26)25-13-15-6-10-17(11-7-15)20(21,22)23/h4-11H,12-13H2,1-3H3,(H2,24,25,26)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223776
PNG
(CHEMBL354812)
Show SMILES CN(C)S(=O)(=O)Nc1ccc(C\N=C(/S)NCc2ccc(cc2)C(C)(C)C)cc1
Show InChI InChI=1S/C21H30N4O2S2/c1-21(2,3)18-10-6-16(7-11-18)14-22-20(28)23-15-17-8-12-19(13-9-17)24-29(26,27)25(4)5/h6-13,24H,14-15H2,1-5H3,(H2,22,23,28)
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n/an/a 1.46E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at the vanilloid receptor in rat DRG neurons.


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223772
PNG
(CHEMBL164768)
Show SMILES CC(C)(C)c1ccc(C\N=C(/S)NCc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H23N3O2S/c1-19(2,3)16-8-4-14(5-9-16)12-20-18(25)21-13-15-6-10-17(11-7-15)22(23)24/h4-11H,12-13H2,1-3H3,(H2,20,21,25)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at vanilloid receptor in rat dorsal root ganglia (partial at 30 uM)


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223781
PNG
(CHEMBL167338)
Show SMILES CC(C)(C)c1ccc(C\N=C(/S)NCc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1
Show InChI InChI=1S/C23H27N3O2S3/c1-23(2,3)19-10-6-17(7-11-19)15-24-22(29)25-16-18-8-12-20(13-9-18)26-31(27,28)21-5-4-14-30-21/h4-14,26H,15-16H2,1-3H3,(H2,24,25,29)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at vanilloid receptor in rat dorsal root ganglia (partial at 30 uM)


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223773
PNG
(CHEMBL166988)
Show SMILES CC(C)(C)c1ccc(C\N=C(/S)NCc2ccc(NC(S)=N)cc2)cc1
Show InChI InChI=1S/C20H26N4S2/c1-20(2,3)16-8-4-14(5-9-16)12-22-19(26)23-13-15-6-10-17(11-7-15)24-18(21)25/h4-11H,12-13H2,1-3H3,(H3,21,24,25)(H2,22,23,26)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro antagonist activity at vanilloid receptor in rat dorsal root ganglia (partial at 30 uM)


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223774
PNG
(CHEMBL165129)
Show SMILES CC(C)(C)c1ccc(C\N=C(/S)NCc2ccc(N)cc2)cc1
Show InChI InChI=1S/C19H25N3S/c1-19(2,3)16-8-4-14(5-9-16)12-21-18(23)22-13-15-6-10-17(20)11-7-15/h4-11H,12-13,20H2,1-3H3,(H2,21,22,23)
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n/an/an/an/a 7.00E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro agonist activity, increased [Ca2+] influx, at vanilloid receptor of rat dorsal root ganglia


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223773
PNG
(CHEMBL166988)
Show SMILES CC(C)(C)c1ccc(C\N=C(/S)NCc2ccc(NC(S)=N)cc2)cc1
Show InChI InChI=1S/C20H26N4S2/c1-20(2,3)16-8-4-14(5-9-16)12-22-19(26)23-13-15-6-10-17(11-7-15)24-18(21)25/h4-11H,12-13H2,1-3H3,(H3,21,24,25)(H2,22,23,26)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro agonist activity, increased [Ca2+] influx, at vanilloid receptor of rat dorsal root ganglia (partial at 30 uM)


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
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/an/an/a 30n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro agonist activity, increased [Ca2+] influx, at vanilloid receptor of rat dorsal root ganglia


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1/2/4


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50223782
PNG
(CHEMBL349647)
Show SMILES CC(C)(C)c1ccc(C\N=C(/S)NCc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H24N2OS/c1-19(2,3)16-8-4-14(5-9-16)12-20-18(23)21-13-15-6-10-17(22)11-7-15/h4-11,22H,12-13H2,1-3H3,(H2,20,21,23)
PDB

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n/an/an/an/a>3.00E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro agonist activity, increased [Ca2+] influx, at vanilloid receptor of rat dorsal root ganglia (partial at 30 uM)


Bioorg Med Chem Lett 14: 787-91 (2004)


BindingDB Entry DOI: 10.7270/Q2R213KC
More data for this
Ligand-Target Pair