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Compile Data Set for Download or QSAR

Found 524 hits with Last Name = 'park' and Initial = 'yh'   
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))
BDBM50052442
PNG
((4-Hydroxy-3-methoxy-phenyl)-acetic acid (2R,3S,3a...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)ccc1O
Show InChI InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsacin


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50196343
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)ccc1O
Show InChI InChI=1S/C28H40N2O4S/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-34-25(32)28(4,5)6)17-30-26(35)29-16-20-10-13-23(31)24(15-20)33-7/h8-13,15,21,31H,14,16-18H2,1-7H3,(H2,29,30,35)
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6.35n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20293
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H36FN3O4S2/c1-17-7-8-19(11-18(17)2)12-21(16-34-24(31)26(3,4)5)15-29-25(35)28-14-20-9-10-23(22(27)13-20)30-36(6,32)33/h7-11,13,21,30H,12,14-16H2,1-6H3,(H2,28,29,35)
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7.80n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50196337
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1O
Show InChI InChI=1S/C26H36N2O4S/c1-17-7-8-19(11-18(17)2)12-21(16-32-24(30)26(3,4)5)15-28-25(33)27-14-20-9-10-22(29)23(13-20)31-6/h7-11,13,21,29H,12,14-16H2,1-6H3,(H2,27,28,33)
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17.4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130546
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C29H43N3O5S2/c1-28(2,3)23-12-9-20(10-13-23)15-22(19-37-26(33)29(4,5)6)18-31-27(38)30-17-21-11-14-24(25(16-21)36-7)32-39(8,34)35/h9-14,16,22,32H,15,17-19H2,1-8H3,(H2,30,31,38)
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25.2n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130542
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H37N3O4S2/c1-18-7-8-21(13-19(18)2)14-22(17-33-24(30)26(3,4)5)16-28-25(34)27-15-20-9-11-23(12-10-20)29-35(6,31)32/h7-13,22,29H,14-17H2,1-6H3,(H2,27,28,34)
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29.3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130548
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C27H39N3O5S2/c1-18-8-9-20(12-19(18)2)13-22(17-35-25(31)27(3,4)5)16-29-26(36)28-15-21-10-11-23(24(14-21)34-6)30-37(7,32)33/h8-12,14,22,30H,13,15-17H2,1-7H3,(H2,28,29,36)
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49n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM20293
PNG
(2-[(3,4-dimethylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H36FN3O4S2/c1-17-7-8-19(11-18(17)2)12-21(16-34-24(31)26(3,4)5)15-29-25(35)28-14-20-9-10-23(22(27)13-20)30-36(6,32)33/h7-11,13,21,30H,12,14-16H2,1-6H3,(H2,28,29,35)
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54n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130540
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H41N3O4S2/c1-27(2,3)23-12-8-20(9-13-23)16-22(19-35-25(32)28(4,5)6)18-30-26(36)29-17-21-10-14-24(15-11-21)31-37(7,33)34/h8-15,22,31H,16-19H2,1-7H3,(H2,29,30,36)
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64n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130542
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H37N3O4S2/c1-18-7-8-21(13-19(18)2)14-22(17-33-24(30)26(3,4)5)16-28-25(34)27-15-20-9-11-23(12-10-20)29-35(6,31)32/h7-13,22,29H,14-17H2,1-6H3,(H2,27,28,34)
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67n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130544
PNG
(Benzoic acid 2-(4-tert-butyl-benzyl)-3-[3-(4-metha...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)c2ccccc2)Cc2ccc(cc2)C(C)(C)C)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C31H39N3O5S2/c1-31(2,3)26-14-11-22(12-15-26)17-24(21-39-29(35)25-9-7-6-8-10-25)20-33-30(40)32-19-23-13-16-27(28(18-23)38-4)34-41(5,36)37/h6-16,18,24,34H,17,19-21H2,1-5H3,(H2,32,33,40)
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77.2n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130540
PNG
(2,2-Dimethyl-propionic acid 2-(4-tert-butyl-benzyl...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H41N3O4S2/c1-27(2,3)23-12-8-20(9-13-23)16-22(19-35-25(32)28(4,5)6)18-30-26(36)29-17-21-10-14-24(15-11-21)31-37(7,33)34/h8-15,22,31H,16-19H2,1-7H3,(H2,29,30,36)
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86n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130553
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C27H39N3O4S2/c1-7-36(32,33)30-24-12-10-21(11-13-24)16-28-26(35)29-17-23(18-34-25(31)27(4,5)6)15-22-9-8-19(2)20(3)14-22/h8-14,23,30H,7,15-18H2,1-6H3,(H2,28,29,35)
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108n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130552
PNG
(Benzoic acid 2-(3,4-dimethyl-benzyl)-3-[3-(4-metha...)
Show SMILES COc1cc(CNC(=S)NCC(COC(=O)c2ccccc2)Cc2ccc(C)c(C)c2)ccc1NS(C)(=O)=O
Show InChI InChI=1S/C29H35N3O5S2/c1-20-10-11-22(14-21(20)2)15-24(19-37-28(33)25-8-6-5-7-9-25)18-31-29(38)30-17-23-12-13-26(27(16-23)36-3)32-39(4,34)35/h5-14,16,24,32H,15,17-19H2,1-4H3,(H2,30,31,38)
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148n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130539
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C28H41N3O4S2/c1-19(2)37(33,34)31-25-12-10-22(11-13-25)16-29-27(36)30-17-24(18-35-26(32)28(5,6)7)15-23-9-8-20(3)21(4)14-23/h8-14,19,24,31H,15-18H2,1-7H3,(H2,29,30,36)
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227n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130545
PNG
(Benzoic acid 2-(4-tert-butyl-benzyl)-3-[3-(4-metha...)
Show SMILES CC(C)(C)c1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C30H37N3O4S2/c1-30(2,3)26-14-10-22(11-15-26)18-24(21-37-28(34)25-8-6-5-7-9-25)20-32-29(38)31-19-23-12-16-27(17-13-23)33-39(4,35)36/h5-17,24,33H,18-21H2,1-4H3,(H2,31,32,38)
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239n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130553
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C27H39N3O4S2/c1-7-36(32,33)30-24-12-10-21(11-13-24)16-28-26(35)29-17-23(18-34-25(31)27(4,5)6)15-22-9-8-19(2)20(3)14-22/h8-14,23,30H,7,15-18H2,1-6H3,(H2,28,29,35)
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309n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130543
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CCCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C28H41N3O4S2/c1-7-14-37(33,34)31-25-12-10-22(11-13-25)17-29-27(36)30-18-24(19-35-26(32)28(4,5)6)16-23-9-8-20(2)21(3)15-23/h8-13,15,24,31H,7,14,16-19H2,1-6H3,(H2,29,30,36)
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313n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130555
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2cccc(NS(C)(=O)=O)c2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C26H37N3O4S2/c1-18-10-11-20(12-19(18)2)13-22(17-33-24(30)26(3,4)5)16-28-25(34)27-15-21-8-7-9-23(14-21)29-35(6,31)32/h7-12,14,22,29H,13,15-17H2,1-6H3,(H2,27,28,34)
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355n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130556
PNG
(Benzoic acid 2-(3,4-dimethyl-benzyl)-3-[3-(4-metha...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)COC(=O)c2ccccc2)cc1C
Show InChI InChI=1S/C28H33N3O4S2/c1-20-9-10-23(15-21(20)2)16-24(19-35-27(32)25-7-5-4-6-8-25)18-30-28(36)29-17-22-11-13-26(14-12-22)31-37(3,33)34/h4-15,24,31H,16-19H2,1-3H3,(H2,29,30,36)
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410n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(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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520n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130543
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CCCS(=O)(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C28H41N3O4S2/c1-7-14-37(33,34)31-25-12-10-22(11-13-25)17-29-27(36)30-18-24(19-35-26(32)28(4,5)6)16-23-9-8-20(2)21(3)15-23/h8-13,15,24,31H,7,14,16-19H2,1-6H3,(H2,29,30,36)
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940n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of capsaicin-induced [Ca2+] uptake by Rat Vanilloid receptor 1 (VR1) expressing CHO cells


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(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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1.30E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vanilloid receptor


(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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1.70E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding to Rat Vanilloid receptor 1 (VR1) expressing CHO cells compared to capsacin


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130538
PNG
(2,2-Dimethyl-propionic acid 3-[3-(4-acetylamino-be...)
Show SMILES CC(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C27H37N3O3S/c1-18-7-8-22(13-19(18)2)14-23(17-33-25(32)27(4,5)6)16-29-26(34)28-15-21-9-11-24(12-10-21)30-20(3)31/h7-13,23H,14-17H2,1-6H3,(H,30,31)(H2,28,29,34)
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1.70E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(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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1.80E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130550
PNG
(2,2-Dimethyl-propionic acid 3-[3-(4-benzenesulfony...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(NS(=O)(=O)c3ccccc3)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C31H39N3O4S2/c1-22-11-12-25(17-23(22)2)18-26(21-38-29(35)31(3,4)5)20-33-30(39)32-19-24-13-15-27(16-14-24)34-40(36,37)28-9-7-6-8-10-28/h6-17,26,34H,18-21H2,1-5H3,(H2,32,33,39)
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2.50E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130554
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES CC(C)C(=O)Nc1ccc(CNC(=S)NCC(COC(=O)C(C)(C)C)Cc2ccc(C)c(C)c2)cc1
Show InChI InChI=1S/C29H41N3O3S/c1-19(2)26(33)32-25-12-10-22(11-13-25)16-30-28(36)31-17-24(18-35-27(34)29(5,6)7)15-23-9-8-20(3)21(4)14-23/h8-14,19,24H,15-18H2,1-7H3,(H,32,33)(H2,30,31,36)
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2.60E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50130551
PNG
(2,2-Dimethyl-propionic acid 2-(3,4-dimethyl-benzyl...)
Show SMILES Cc1ccc(CC(CNC(=S)NCc2ccc(CNS(C)(=O)=O)cc2)COC(=O)C(C)(C)C)cc1C
Show InChI InChI=1S/C27H39N3O4S2/c1-19-7-8-23(13-20(19)2)14-24(18-34-25(31)27(3,4)5)16-29-26(35)28-15-21-9-11-22(12-10-21)17-30-36(6,32)33/h7-13,24,30H,14-18H2,1-6H3,(H2,28,29,35)
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3.00E+3n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Rat Vanilloid receptor 1 (VR1) by [3H]-RTX displacement.


J Med Chem 46: 3116-26 (2003)


Article DOI: 10.1021/jm030089u
BindingDB Entry DOI: 10.7270/Q2SB4551
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222640
PNG
(CHEMBL415543)
Show SMILES COc1cc(CCCN(CCc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C27H32N2O2S/c1-31-26-21-24(14-15-25(26)30)13-8-19-29(20-17-23-11-6-3-7-12-23)27(32)28-18-16-22-9-4-2-5-10-22/h2-7,9-12,14-15,21,30H,8,13,16-20H2,1H3,(H,28,32)
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n/an/a 0.320n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222640
PNG
(CHEMBL415543)
Show SMILES COc1cc(CCCN(CCc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C27H32N2O2S/c1-31-26-21-24(14-15-25(26)30)13-8-19-29(20-17-23-11-6-3-7-12-23)27(32)28-18-16-22-9-4-2-5-10-22/h2-7,9-12,14-15,21,30H,8,13,16-20H2,1H3,(H,28,32)
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n/an/a 0.320n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222695
PNG
(CHEMBL155433)
Show SMILES COc1cc(CCCN(C(c2ccccc2)c2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C32H34N2O2S/c1-36-30-24-26(19-20-29(30)35)14-11-23-34(32(37)33-22-21-25-12-5-2-6-13-25)31(27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-10,12-13,15-20,24,31,35H,11,14,21-23H2,1H3,(H,33,37)
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n/an/a 0.460n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222637
PNG
(CHEMBL154743)
Show SMILES COc1cc(CCCN(CCc2ccc(cc2)[N+]([O-])=O)C(\S)=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C27H31N3O4S/c1-34-26-20-23(11-14-25(26)31)8-5-18-29(19-16-22-9-12-24(13-10-22)30(32)33)27(35)28-17-15-21-6-3-2-4-7-21/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,28,35)
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n/an/a 0.5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222696
PNG
(CHEMBL156041)
Show SMILES COc1cc(CCCN(CCc2ccc(Cl)cc2)C(\S)=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C27H31ClN2O2S/c1-32-26-20-23(11-14-25(26)31)8-5-18-30(19-16-22-9-12-24(28)13-10-22)27(33)29-17-15-21-6-3-2-4-7-21/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,33)
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n/an/a 0.550n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222635
PNG
(CHEMBL267205)
Show SMILES COc1ccc(CCN(CCCc2ccc(O)c(OC)c2)C(\S)=N\CCc2ccccc2)cc1
Show InChI InChI=1S/C28H34N2O3S/c1-32-25-13-10-23(11-14-25)17-20-30(28(34)29-18-16-22-7-4-3-5-8-22)19-6-9-24-12-15-26(31)27(21-24)33-2/h3-5,7-8,10-15,21,31H,6,9,16-20H2,1-2H3,(H,29,34)
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n/an/a 0.720n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222649
PNG
(CHEMBL155730)
Show SMILES COc1cc(CCCN(Cc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C26H30N2O2S/c1-30-25-19-22(14-15-24(25)29)13-8-18-28(20-23-11-6-3-7-12-23)26(31)27-17-16-21-9-4-2-5-10-21/h2-7,9-12,14-15,19,29H,8,13,16-18,20H2,1H3,(H,27,31)
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n/an/a 0.950n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222647
PNG
(CHEMBL154990)
Show SMILES COc1cc(CCCN(CCc2ccc(C)cc2)C(\S)=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C28H34N2O2S/c1-22-10-12-24(13-11-22)17-20-30(28(33)29-18-16-23-7-4-3-5-8-23)19-6-9-25-14-15-26(31)27(21-25)32-2/h3-5,7-8,10-15,21,31H,6,9,16-20H2,1-2H3,(H,29,33)
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n/an/a 0.950n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222641
PNG
(CHEMBL157962)
Show SMILES COc1cc(CCCN(CCc2ccc(F)cc2)C(\S)=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C27H31FN2O2S/c1-32-26-20-23(11-14-25(26)31)8-5-18-30(19-16-22-9-12-24(28)13-10-22)27(33)29-17-15-21-6-3-2-4-7-21/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,33)
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n/an/a 1.20n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222638
PNG
(CHEMBL422702)
Show SMILES COc1cc(CCCN(CCc2ccccc2)C(\S)=N\CCc2ccc(Cl)cc2)ccc1O
Show InChI InChI=1S/C27H31ClN2O2S/c1-32-26-20-23(11-14-25(26)31)8-5-18-30(19-16-21-6-3-2-4-7-21)27(33)29-17-15-22-9-12-24(28)13-10-22/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,33)
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n/an/a 2.40n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222644
PNG
(CHEMBL434295)
Show SMILES COc1cc(CCCN(C(C)C)C(\S)=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C22H30N2O2S/c1-17(2)24(22(27)23-14-13-18-8-5-4-6-9-18)15-7-10-19-11-12-20(25)21(16-19)26-3/h4-6,8-9,11-12,16-17,25H,7,10,13-15H2,1-3H3,(H,23,27)
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n/an/a 2.5n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222648
PNG
(CHEMBL156693)
Show SMILES COc1cc(CCCN(C2CCCCC2)C(\S)=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C25H34N2O2S/c1-29-24-19-21(14-15-23(24)28)11-8-18-27(22-12-6-3-7-13-22)25(30)26-17-16-20-9-4-2-5-10-20/h2,4-5,9-10,14-15,19,22,28H,3,6-8,11-13,16-18H2,1H3,(H,26,30)
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n/an/a 3n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222639
PNG
(CHEMBL356682)
Show SMILES COc1cc(CCCN(CCCc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C28H34N2O2S/c1-32-27-22-25(16-17-26(27)31)15-9-21-30(20-8-14-23-10-4-2-5-11-23)28(33)29-19-18-24-12-6-3-7-13-24/h2-7,10-13,16-17,22,31H,8-9,14-15,18-21H2,1H3,(H,29,33)
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n/an/a 3.20n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50474740
PNG
(CHEMBL355074)
Show SMILES CCCCc1ccc(cc1)C1=C(OC(C)(C)C1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C23H26O4S/c1-5-6-7-16-8-10-17(11-9-16)20-21(27-23(2,3)22(20)24)18-12-14-19(15-13-18)28(4,25)26/h8-15H,5-7H2,1-4H3
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n/an/a 5.02n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222646
PNG
(CHEMBL157917)
Show SMILES COc1cc(CCCN(CCc2ccccc2)C(\S)=N\CCc2ccc(F)cc2)ccc1O
Show InChI InChI=1S/C27H31FN2O2S/c1-32-26-20-23(11-14-25(26)31)8-5-18-30(19-16-21-6-3-2-4-7-21)27(33)29-17-15-22-9-12-24(28)13-10-22/h2-4,6-7,9-14,20,31H,5,8,15-19H2,1H3,(H,29,33)
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n/an/a 5.10n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222694
PNG
(CHEMBL158189)
Show SMILES COc1cc(CCCCN(CCc2ccccc2)C(\S)=N\CCc2ccccc2)ccc1O
Show InChI InChI=1S/C28H34N2O2S/c1-32-27-22-25(15-16-26(27)31)14-8-9-20-30(21-18-24-12-6-3-7-13-24)28(33)29-19-17-23-10-4-2-5-11-23/h2-7,10-13,15-16,22,31H,8-9,14,17-21H2,1H3,(H,29,33)
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n/an/a 6.10n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50474747
PNG
(CHEMBL167357)
Show SMILES CC1(C)OC(=C(C1=O)c1cc(F)cc(F)c1)c1ccc(cc1F)S(N)(=O)=O
Show InChI InChI=1S/C18H14F3NO4S/c1-18(2)17(23)15(9-5-10(19)7-11(20)6-9)16(26-18)13-4-3-12(8-14(13)21)27(22,24)25/h3-8H,1-2H3,(H2,22,24,25)
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n/an/a 7.55n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50474743
PNG
(CHEMBL353935)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(cc1F)S(N)(=O)=O
Show InChI InChI=1S/C18H15F2NO4S/c1-18(2)17(22)15(10-4-3-5-11(19)8-10)16(25-18)13-7-6-12(9-14(13)20)26(21,23)24/h3-9H,1-2H3,(H2,21,23,24)
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n/an/a 7.91n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)

More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus (Mouse))
BDBM50474760
PNG
(CG-100649 | CG100649 | POLMACOXIB | Polmacoxib)
Show SMILES CC1(C)OC(=C(C1=O)c1cccc(F)c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H16FNO4S/c1-18(2)17(21)15(12-4-3-5-13(19)10-12)16(24-18)11-6-8-14(9-7-11)25(20,22)23/h3-10H,1-2H3,(H2,20,22,23)
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n/an/a 8.30n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)

More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50170264
PNG
(CHEMBL361931 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1
Show InChI InChI=1S/C20H26ClN3O2S2/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 8.40n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50222691
PNG
(CHEMBL156927)
Show SMILES CC(C)N(CCCc1ccc(O)c(O)c1)C(\S)=N\CCc1ccccc1
Show InChI InChI=1S/C21H28N2O2S/c1-16(2)23(14-6-9-18-10-11-19(24)20(25)15-18)21(26)22-13-12-17-7-4-3-5-8-17/h3-5,7-8,10-11,15-16,24-25H,6,9,12-14H2,1-2H3,(H,22,26)
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n/an/a 9.30n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonistic activity against vanilloid receptor as concentration to reduce the response to 0.5 mM capsaicin by 50% from neonatal rat culture spinal ...


Bioorg Med Chem Lett 13: 601-4 (2003)


Article DOI: 10.1016/s0960-894x(02)01040-5
BindingDB Entry DOI: 10.7270/Q2XP7747
More data for this
Ligand-Target Pair
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