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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'paek' and Initial = 'sm'   
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
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20321
PNG
(3-[(4-tert-butylphenyl)methyl]-1-[(3-fluoro-4-meth...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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n/an/a 37n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258505
PNG
(CHEMBL468512 | N-(3-Cyano-5-fluoro-4-(methylsulfon...)
Show SMILES CC1(C)CCC(C)(C)c2cc(CCC(=O)NCc3cc(F)c(NS(C)(=O)=O)c(c3)C#N)ccc12
Show InChI InChI=1S/C26H32FN3O3S/c1-25(2)10-11-26(3,4)21-13-17(6-8-20(21)25)7-9-23(31)29-16-18-12-19(15-28)24(22(27)14-18)30-34(5,32)33/h6,8,12-14,30H,7,9-11,16H2,1-5H3,(H,29,31)
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n/an/a 57n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258476
PNG
(3-(4-tert-Butylphenyl)-N-(3-cyano-5-fluoro-4-(meth...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1
Show InChI InChI=1S/C22H26FN3O3S/c1-22(2,3)18-8-5-15(6-9-18)7-10-20(27)25-14-16-11-17(13-24)21(19(23)12-16)26-30(4,28)29/h5-6,8-9,11-12,26H,7,10,14H2,1-4H3,(H,25,27)
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n/an/a 85n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258840
PNG
(3-(4-tert-Butylphenyl)-N-(3-fluoro-4-(methylsulfon...)
Show SMILES CC(C)(C)c1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O3S/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(25)23-14-16-7-11-19(18(22)13-16)24-28(4,26)27/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,25)
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n/an/a 170n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258415
PNG
(CHEMBL493769 | N-(3-Fluoro-4-(methylsulfonamido)be...)
Show SMILES CC1(C)CCC(C)(C)c2cc(CCC(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc12
Show InChI InChI=1S/C25H33FN2O3S/c1-24(2)12-13-25(3,4)20-14-17(6-9-19(20)24)8-11-23(29)27-16-18-7-10-22(21(26)15-18)28-32(5,30)31/h6-7,9-10,14-15,28H,8,11-13,16H2,1-5H3,(H,27,29)
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n/an/a 180n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258314
PNG
(3-(3,5-Di-tert-butylphenyl)-N-(3-fluoro-4-(methyls...)
Show SMILES CC(C)(C)c1cc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc(c1)C(C)(C)C
Show InChI InChI=1S/C25H35FN2O3S/c1-24(2,3)19-12-17(13-20(15-19)25(4,5)6)9-11-23(29)27-16-18-8-10-22(21(26)14-18)28-32(7,30)31/h8,10,12-15,28H,9,11,16H2,1-7H3,(H,27,29)
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n/an/a 200n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258504
PNG
(CHEMBL512461 | N-(3-Cyano-5-fluoro-4-(methylsulfon...)
Show SMILES CC1(CC1)c1ccc(CCC(=O)NCc2cc(F)c(NS(C)(=O)=O)c(c2)C#N)cc1
Show InChI InChI=1S/C22H24FN3O3S/c1-22(9-10-22)18-6-3-15(4-7-18)5-8-20(27)25-14-16-11-17(13-24)21(19(23)12-16)26-30(2,28)29/h3-4,6-7,11-12,26H,5,8-10,14H2,1-2H3,(H,25,27)
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n/an/a 210n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258446
PNG
(3-(6-tert-Butylchroman-8-yl)-N-(3-fluoro-4-(methyl...)
Show SMILES CC(C)(C)c1cc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2OCCCc2c1
Show InChI InChI=1S/C24H31FN2O4S/c1-24(2,3)19-13-17-6-5-11-31-23(17)18(14-19)8-10-22(28)26-15-16-7-9-21(20(25)12-16)27-32(4,29)30/h7,9,12-14,27H,5-6,8,10-11,15H2,1-4H3,(H,26,28)
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n/an/a 280n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258414
PNG
((E)-N-(3-Fluoro-4-(methylsulfonamido)benzyl)-3-(5,...)
Show SMILES CC1(C)CCC(C)(C)c2cc(\C=C\C(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc12
Show InChI InChI=1S/C25H31FN2O3S/c1-24(2)12-13-25(3,4)20-14-17(6-9-19(20)24)8-11-23(29)27-16-18-7-10-22(21(26)15-18)28-32(5,30)31/h6-11,14-15,28H,12-13,16H2,1-5H3,(H,27,29)/b11-8+
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n/an/a 340n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258270
PNG
(CHEMBL492800 | N-(3-Fluoro-4-(methylsulfonamido)be...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)CCc2ccc(CC3CC3)cc2)cc1F
Show InChI InChI=1S/C21H25FN2O3S/c1-28(26,27)24-20-10-8-18(13-19(20)22)14-23-21(25)11-9-15-2-4-16(5-3-15)12-17-6-7-17/h2-5,8,10,13,17,24H,6-7,9,11-12,14H2,1H3,(H,23,25)
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n/an/a 360n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258269
PNG
((E)-N-(3-Fluoro-4-(methylsulfonamido)benzyl)-3-(4-...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)\C=C\c2ccc(CC3CC3)cc2)cc1F
Show InChI InChI=1S/C21H23FN2O3S/c1-28(26,27)24-20-10-8-18(13-19(20)22)14-23-21(25)11-9-15-2-4-16(5-3-15)12-17-6-7-17/h2-5,8-11,13,17,24H,6-7,12,14H2,1H3,(H,23,25)/b11-9+
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n/an/a 390n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258839
PNG
((E)-3-(4-tert-Butylphenyl)-N-(3-fluoro-4-(methylsu...)
Show SMILES CC(C)(C)c1ccc(\C=C\C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H25FN2O3S/c1-21(2,3)17-9-5-15(6-10-17)8-12-20(25)23-14-16-7-11-19(18(22)13-16)24-28(4,26)27/h5-13,24H,14H2,1-4H3,(H,23,25)/b12-8+
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n/an/a 490n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258841
PNG
(3-(4-sec-Butylphenyl)-N-(3-fluoro-4-(methylsulfona...)
Show SMILES CC(C)Cc1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O3S/c1-15(2)12-17-6-4-16(5-7-17)9-11-21(25)23-14-18-8-10-20(19(22)13-18)24-28(3,26)27/h4-8,10,13,15,24H,9,11-12,14H2,1-3H3,(H,23,25)
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n/an/a 640n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50172598
PNG
(CHEMBL197781 | N-(4-[({4-tert-Butylbenzyl}aminocar...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H26FN3O3S/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(25)23-13-15-7-10-18(17(21)11-15)24-28(4,26)27/h5-11,24H,12-13H2,1-4H3,(H2,22,23,25)
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n/an/a 710n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258445
PNG
((E)-3-(6-tert-Butylchroman-8-yl)-N-(3-fluoro-4-(me...)
Show SMILES CC(C)(C)c1cc2CCCOc2c(\C=C\C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c1
Show InChI InChI=1S/C24H29FN2O4S/c1-24(2,3)19-13-17-6-5-11-31-23(17)18(14-19)8-10-22(28)26-15-16-7-9-21(20(25)12-16)27-32(4,29)30/h7-10,12-14,27H,5-6,11,15H2,1-4H3,(H,26,28)/b10-8+
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n/an/a 920n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258474
PNG
((E)-3-(2,2-Dimethylchroman-6-yl)-N-(3-fluoro-4-(me...)
Show SMILES CC1(C)CCc2cc(\C=C\C(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc2O1
Show InChI InChI=1S/C22H25FN2O4S/c1-22(2)11-10-17-12-15(5-8-20(17)29-22)6-9-21(26)24-14-16-4-7-19(18(23)13-16)25-30(3,27)28/h4-9,12-13,25H,10-11,14H2,1-3H3,(H,24,26)/b9-6+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258416
PNG
((E)-3-(5-tert-Butyl-2,3-dihydrobenzofuran-7-yl)-N-...)
Show SMILES CC(C)(C)c1cc2CCOc2c(\C=C\C(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c1
Show InChI InChI=1S/C23H27FN2O4S/c1-23(2,3)18-12-16(22-17(13-18)9-10-30-22)6-8-21(27)25-14-15-5-7-20(19(24)11-15)26-31(4,28)29/h5-8,11-13,26H,9-10,14H2,1-4H3,(H,25,27)/b8-6+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258413
PNG
(3-(3,5-Bis(trifluoromethyl)phenyl)-N-(3-fluoro-4-(...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)CCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1F
Show InChI InChI=1S/C19H17F7N2O3S/c1-32(30,31)28-16-4-2-12(8-15(16)20)10-27-17(29)5-3-11-6-13(18(21,22)23)9-14(7-11)19(24,25)26/h2,4,6-9,28H,3,5,10H2,1H3,(H,27,29)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258803
PNG
(CHEMBL466622 | N-(4-tert-Butylbenzyl)-3-[3-fluoro-...)
Show SMILES CC(C)(C)c1ccc(CNC(=O)CCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O3S/c1-21(2,3)17-9-5-16(6-10-17)14-23-20(25)12-8-15-7-11-19(18(22)13-15)24-28(4,26)27/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,25)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258447
PNG
((E)-3-(2,2-Dimethyl-2,3-dihydrobenzofuran-5-yl)-N-...)
Show SMILES CC1(C)Cc2cc(\C=C\C(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc2O1
Show InChI InChI=1S/C21H23FN2O4S/c1-21(2)12-16-10-14(5-8-19(16)28-21)6-9-20(25)23-13-15-4-7-18(17(22)11-15)24-29(3,26)27/h4-11,24H,12-13H2,1-3H3,(H,23,25)/b9-6+
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n/an/a 4.30E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258271
PNG
(CHEMBL492801 | N-(3-Fluoro-4-(methylsulfonamido)be...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)CCc2ccc(cc2)C(F)(F)F)cc1F
Show InChI InChI=1S/C18H18F4N2O3S/c1-28(26,27)24-16-8-4-13(10-15(16)19)11-23-17(25)9-5-12-2-6-14(7-3-12)18(20,21)22/h2-4,6-8,10,24H,5,9,11H2,1H3,(H,23,25)
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n/an/a 4.60E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258444
PNG
(3-(5-tert-Butyl-2,3-dihydrobenzofuran-7-yl)-N-(3-f...)
Show SMILES CC(C)(C)c1cc2CCOc2c(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c1
Show InChI InChI=1S/C23H29FN2O4S/c1-23(2,3)18-12-16(22-17(13-18)9-10-30-22)6-8-21(27)25-14-15-5-7-20(19(24)11-15)26-31(4,28)29/h5,7,11-13,26H,6,8-10,14H2,1-4H3,(H,25,27)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258475
PNG
(3-(2,2-Dimethylchroman-6-yl)-N-(3-fluoro-4-(methyl...)
Show SMILES CC1(C)CCc2cc(CCC(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc2O1
Show InChI InChI=1S/C22H27FN2O4S/c1-22(2)11-10-17-12-15(5-8-20(17)29-22)6-9-21(26)24-14-16-4-7-19(18(23)13-16)25-30(3,27)28/h4-5,7-8,12-13,25H,6,9-11,14H2,1-3H3,(H,24,26)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258838
PNG
((E)-N-(3-Fluoro-4-(methylsulfonamido)benzyl)-3-(4-...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)\C=C\c2ccc(I)cc2)cc1F
Show InChI InChI=1S/C17H16FIN2O3S/c1-25(23,24)21-16-8-4-13(10-15(16)18)11-20-17(22)9-5-12-2-6-14(19)7-3-12/h2-10,21H,11H2,1H3,(H,20,22)/b9-5+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258837
PNG
(3-(4-Bromophenyl)-N-(3-fluoro-4-(methylsulfonamido...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)CCc2ccc(Br)cc2)cc1F
Show InChI InChI=1S/C17H18BrFN2O3S/c1-25(23,24)21-16-8-4-13(10-15(16)19)11-20-17(22)9-5-12-2-6-14(18)7-3-12/h2-4,6-8,10,21H,5,9,11H2,1H3,(H,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258804
PNG
(CHEMBL466827 | N-(3-Fluoro-4-(methylsulfonamido)be...)
Show SMILES CS(=O)(=O)Nc1ccc(CNC(=O)CCc2ccccc2)cc1F
Show InChI InChI=1S/C17H19FN2O3S/c1-24(22,23)20-16-9-7-14(11-15(16)18)12-19-17(21)10-8-13-5-3-2-4-6-13/h2-7,9,11,20H,8,10,12H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258273
PNG
(3-(4-tert-Butoxyphenyl)-N-(3-fluoro-4-(methylsulfo...)
Show SMILES CC(C)(C)Oc1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C21H27FN2O4S/c1-21(2,3)28-17-9-5-15(6-10-17)8-12-20(25)23-14-16-7-11-19(18(22)13-16)24-29(4,26)27/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258473
PNG
(3-(2,2-Dimethyl-2,3-dihydrobenzofuran-5-yl)-N-(3-f...)
Show SMILES CC1(C)Cc2cc(CCC(=O)NCc3ccc(NS(C)(=O)=O)c(F)c3)ccc2O1
Show InChI InChI=1S/C21H25FN2O4S/c1-21(2)12-16-10-14(5-8-19(16)28-21)6-9-20(25)23-13-15-4-7-18(17(22)11-15)24-29(3,26)27/h4-5,7-8,10-11,24H,6,9,12-13H2,1-3H3,(H,23,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50258272
PNG
(CHEMBL495006 | N-(3-Fluoro-4-(methylsulfonamido)be...)
Show SMILES CC(C)Oc1ccc(CCC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)cc1
Show InChI InChI=1S/C20H25FN2O4S/c1-14(2)27-17-8-4-15(5-9-17)7-11-20(24)22-13-16-6-10-19(18(21)12-16)23-28(3,25)26/h4-6,8-10,12,14,23H,7,11,13H2,1-3H3,(H,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at TRPV1 in Sprague-Dawley rat DRG neuron assessed as reduction of capsaicin-stimulated 45Ca2+ uptake


Bioorg Med Chem 17: 3557-67 (2009)


Article DOI: 10.1016/j.bmc.2009.04.010
BindingDB Entry DOI: 10.7270/Q2V124QJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50148382
PNG
((2E,4E)-5-((1S,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@@](C)(CCC[C@@]23C)\C=C\C=C\C(O)=O)C1)C=C
Show InChI InChI=1S/C24H34O2/c1-5-22(2)16-12-19-18(17-22)10-11-20-23(3,13-7-6-9-21(25)26)14-8-15-24(19,20)4/h5-7,9,12-13,18,20H,1,8,10-11,14-17H2,2-4H3,(H,25,26)/b9-6+,13-7+/t18?,20?,22-,23+,24-/m0/s1
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n/an/a 2.68E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50148383
PNG
((Z)-4-((1S,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@](C)(C\C=C/C(O)=O)CCC[C@@]23C)C1)C=C
Show InChI InChI=1S/C23H34O2/c1-5-21(2)15-11-18-17(16-21)9-10-19-22(3,12-6-8-20(24)25)13-7-14-23(18,19)4/h5-6,8,11,17,19H,1,7,9-10,12-16H2,2-4H3,(H,24,25)/b8-6-/t17?,19?,21-,22+,23-/m0/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50097197
PNG
((E)-6-((1R,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@](C)(CCC\C=C\C(O)=O)CCC[C@@]23C)C1)C=C
Show InChI InChI=1S/C25H38O2/c1-5-23(2)17-13-20-19(18-23)11-12-21-24(3,15-9-16-25(20,21)4)14-8-6-7-10-22(26)27/h5,7,10,13,19,21H,1,6,8-9,11-12,14-18H2,2-4H3,(H,26,27)/b10-7+/t19?,21?,23-,24+,25-/m0/s1
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n/an/a 3.78E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50097204
PNG
(5-((1R,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@](C)(CCCCC(O)=O)CCC[C@@]23C)C1)C=C
Show InChI InChI=1S/C24H38O2/c1-5-22(2)16-12-19-18(17-22)10-11-20-23(3,13-7-6-9-21(25)26)14-8-15-24(19,20)4/h5,12,18,20H,1,6-11,13-17H2,2-4H3,(H,25,26)/t18?,20?,22-,23+,24-/m0/s1
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n/an/a 3.87E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50097201
PNG
((1R,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,6,...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@@](C)(CCC[C@@]23C)C(=O)NN)C1)C=C
Show InChI InChI=1S/C20H32N2O/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(23)22-21/h5,9,14,16H,1,6-8,10-13,21H2,2-4H3,(H,22,23)/t14?,16?,18-,19-,20+/m0/s1
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n/an/a 4.19E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50097207
PNG
(4-((1S,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@](C)(CCCC(O)=O)CCC[C@@]23C)C1)C=C
Show InChI InChI=1S/C23H36O2/c1-5-21(2)15-11-18-17(16-21)9-10-19-22(3,12-6-8-20(24)25)13-7-14-23(18,19)4/h5,11,17,19H,1,6-10,12-16H2,2-4H3,(H,24,25)/t17?,19?,21-,22+,23-/m0/s1
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n/an/a 4.94E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50148380
PNG
(4-Iodo-N-[3-((1S,4aR,7S)-1,4a,7-trimethyl-7-vinyl-...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@](C)(CCC(=O)NS(=O)(=O)c4ccc(I)cc4)CCC[C@@]23C)C1)C=C
Show InChI InChI=1S/C28H38INO3S/c1-5-26(2)17-13-23-20(19-26)7-12-24-27(3,15-6-16-28(23,24)4)18-14-25(31)30-34(32,33)22-10-8-21(29)9-11-22/h5,8-11,13,20,24H,1,6-7,12,14-19H2,2-4H3,(H,30,31)/t20?,24?,26-,27-,28-/m0/s1
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n/an/a 6.07E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50148384
PNG
((E)-3-((1S,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@@](C)(CCC[C@@]23C)\C=C\C(O)=O)C1)C=C
Show InChI InChI=1S/C22H32O2/c1-5-20(2)13-9-17-16(15-20)7-8-18-21(3,14-10-19(23)24)11-6-12-22(17,18)4/h5,9-10,14,16,18H,1,6-8,11-13,15H2,2-4H3,(H,23,24)/b14-10+/t16?,18?,20-,21-,22-/m0/s1
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n/an/a 6.97E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50148381
PNG
(4-Iodo-N-[2-((1S,4aR,7S)-1,4a,7-trimethyl-7-vinyl-...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@](C)(CC(=O)NS(=O)(=O)c4ccc(I)cc4)CCC[C@@]23C)C1)C=C
Show InChI InChI=1S/C27H36INO3S/c1-5-25(2)16-13-22-19(17-25)7-12-23-26(3,14-6-15-27(22,23)4)18-24(30)29-33(31,32)21-10-8-20(28)9-11-21/h5,8-11,13,19,23H,1,6-7,12,14-18H2,2-4H3,(H,29,30)/t19?,23?,25-,26-,27-/m0/s1
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n/an/a 7.22E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50097199
PNG
(((1S,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a,6...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@](C)(CC(O)=O)CCC[C@@]23C)C1)C=C
Show InChI InChI=1S/C21H32O2/c1-5-19(2)12-9-16-15(13-19)7-8-17-20(3,14-18(22)23)10-6-11-21(16,17)4/h5,9,15,17H,1,6-8,10-14H2,2-4H3,(H,22,23)/t15?,17?,19-,20-,21-/m0/s1
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n/an/a 8.23E+4n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50097210
PNG
(3-((1S,4aR,7S)-1,4a,7-Trimethyl-7-vinyl-1,2,3,4,4a...)
Show SMILES C[C@@]1(CC=C2C(CCC3[C@](C)(CCC(O)=O)CCC[C@@]23C)C1)C=C
Show InChI InChI=1S/C22H34O2/c1-5-20(2)13-9-17-16(15-20)7-8-18-21(3,14-10-19(23)24)11-6-12-22(17,18)4/h5,9,16,18H,1,6-8,10-15H2,2-4H3,(H,23,24)/t16?,18?,20-,21-,22-/m0/s1
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n/an/a 1.05E+5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro inhibition of Prostaglandin G/H synthase 2 from sheep placental cotyledons


Bioorg Med Chem Lett 14: 3487-90 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.054
BindingDB Entry DOI: 10.7270/Q20Z72RM
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/an/a 2.00E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50264340
PNG
((S)-3-(3-((E)-1-Benzyloxyiminoethyl)phenyl)-2-etho...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1ccccc1)C(O)=O
Show InChI InChI=1S/C20H23NO4/c1-3-24-19(20(22)23)13-17-10-7-11-18(12-17)15(2)21-25-14-16-8-5-4-6-9-16/h4-12,19H,3,13-14H2,1-2H3,(H,22,23)/b21-15+/t19-/m0/s1
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n/an/an/an/a 121n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50264339
PNG
((R)-2-Ethoxy-3-(3-(4,5-dihydro-5-phenethylisoxazol...)
Show SMILES CCO[C@H](Cc1cccc(c1)C1=NOC(CCc2ccccc2)C1)C(O)=O
Show InChI InChI=1S/C22H25NO4/c1-2-26-21(22(24)25)14-17-9-6-10-18(13-17)20-15-19(27-23-20)12-11-16-7-4-3-5-8-16/h3-10,13,19,21H,2,11-12,14-15H2,1H3,(H,24,25)/t19?,21-/m1/s1
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n/an/an/an/a 2.51E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50264539
PNG
((R)-3-(3-(5-Benzyl-4,5-dihydroisoxazol-3-yl)phenyl...)
Show SMILES CCO[C@H](Cc1cccc(c1)C1=NOC(Cc2ccccc2)C1)C(O)=O
Show InChI InChI=1S/C21H23NO4/c1-2-25-20(21(23)24)13-16-9-6-10-17(11-16)19-14-18(26-22-19)12-15-7-4-3-5-8-15/h3-11,18,20H,2,12-14H2,1H3,(H,23,24)/t18?,20-/m1/s1
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n/an/an/an/a 4.14E+4n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50264538
PNG
((S)-2-Ethoxy-3-(3-(4,5-dihydro-5-phenethylisoxazol...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(CCc2ccccc2)C1)C(O)=O
Show InChI InChI=1S/C22H25NO4/c1-2-26-21(22(24)25)14-17-9-6-10-18(13-17)20-15-19(27-23-20)12-11-16-7-4-3-5-8-16/h3-10,13,19,21H,2,11-12,14-15H2,1H3,(H,24,25)/t19?,21-/m0/s1
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n/an/an/an/a 1.85E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50264537
PNG
((S)-3-(3-(5-Benzyl-4,5-dihydroisoxazol-3-yl)phenyl...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(Cc2ccccc2)C1)C(O)=O
Show InChI InChI=1S/C21H23NO4/c1-2-25-20(21(23)24)13-16-9-6-10-17(11-16)19-14-18(26-22-19)12-15-7-4-3-5-8-15/h3-11,18,20H,2,12-14H2,1H3,(H,23,24)/t18?,20-/m0/s1
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n/an/an/an/a 6.93E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50264303
PNG
((S)-3-(3-((E)-1-(2-Chlorobenzyloxyimino)ethyl)phen...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1ccccc1Cl)C(O)=O
Show InChI InChI=1S/C20H22ClNO4/c1-3-25-19(20(23)24)12-15-7-6-9-16(11-15)14(2)22-26-13-17-8-4-5-10-18(17)21/h4-11,19H,3,12-13H2,1-2H3,(H,23,24)/b22-14+/t19-/m0/s1
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n/an/an/an/a 26n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50264302
PNG
((S)-3-(3-((E)-1-(3-Chlorobenzyloxyimino)ethyl)phen...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C(\C)=N\OCc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C20H22ClNO4/c1-3-25-19(20(23)24)12-15-6-4-8-17(10-15)14(2)22-26-13-16-7-5-9-18(21)11-16/h4-11,19H,3,12-13H2,1-2H3,(H,23,24)/b22-14+/t19-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50264508
PNG
((S)-2-Ethoxy-3-(3-(5-(4-(tert-butylphenyl)-4,5-dih...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(cc1)C(C)(C)C)C(O)=O
Show InChI InChI=1S/C24H29NO4/c1-5-28-22(23(26)27)14-16-7-6-8-18(13-16)20-15-21(29-25-20)17-9-11-19(12-10-17)24(2,3)4/h6-13,21-22H,5,14-15H2,1-4H3,(H,26,27)/t21?,22-/m0/s1
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n/an/an/an/a 2.73E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (Human))
BDBM50264507
PNG
((S)-2-Ethoxy-3-(3-(5-(4-methoxyphenyl)-4,5-dihydro...)
Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(OC)cc1)C(O)=O
Show InChI InChI=1S/C21H23NO5/c1-3-26-20(21(23)24)12-14-5-4-6-16(11-14)18-13-19(27-22-18)15-7-9-17(25-2)10-8-15/h4-11,19-20H,3,12-13H2,1-2H3,(H,23,24)/t19?,20-/m0/s1
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n/an/an/an/a 3.19E+3n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...


J Med Chem 51: 6318-33 (2008)


Article DOI: 10.1021/jm8003416
BindingDB Entry DOI: 10.7270/Q2SQ919V
More data for this
Ligand-Target Pair
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