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Compile Data Set for Download or QSAR

Found 16 hits with Last Name = 'ahn' and Initial = 'sy'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50366620
PNG
(RESINIFERATOXIN)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(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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1.20n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50444876
PNG
(CHEMBL3099608)
Show SMILES COc1cc(CNC(=S)NC[C@H](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)/t21-/m1/s1
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3.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50305278
PNG
(CHEMBL595069 | iodoresiniferatoxin)
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)cc(I)c1O
Show InChI InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36-,37-/m1/s1
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5.90n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of RTX-induced 45Ca2+ uptake after 20 mins by liquid scintillation c...


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
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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6.10n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50444875
PNG
(CHEMBL3099609)
Show SMILES COc1cc(CNC(=S)NC[C@@H](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)/t21-/m0/s1
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6.60n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50305278
PNG
(CHEMBL595069 | iodoresiniferatoxin)
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)cc(I)c1O
Show InChI InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36-,37-/m1/s1
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12n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50444874
PNG
(CHEMBL3099610)
Show SMILES CC(C)(C)C(=O)OC[C@@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40FN3O4S2/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-36-25(33)28(4,5)6)17-31-26(37)30-16-20-10-13-24(23(29)15-20)32-38(7,34)35/h8-13,15,21,32H,14,16-18H2,1-7H3,(H2,30,31,37)/t21-/m1/s1
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17n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20287
PNG
(2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40FN3O4S2/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-36-25(33)28(4,5)6)17-31-26(37)30-16-20-10-13-24(23(29)15-20)32-38(7,34)35/h8-13,15,21,32H,14,16-18H2,1-7H3,(H2,30,31,37)
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23n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50444873
PNG
(CHEMBL3099611)
Show SMILES CC(C)(C)C(=O)OC[C@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40FN3O4S2/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-36-25(33)28(4,5)6)17-31-26(37)30-16-20-10-13-24(23(29)15-20)32-38(7,34)35/h8-13,15,21,32H,14,16-18H2,1-7H3,(H2,30,31,37)/t21-/m0/s1
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63n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50444874
PNG
(CHEMBL3099610)
Show SMILES CC(C)(C)C(=O)OC[C@@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40FN3O4S2/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-36-25(33)28(4,5)6)17-31-26(37)30-16-20-10-13-24(23(29)15-20)32-38(7,34)35/h8-13,15,21,32H,14,16-18H2,1-7H3,(H2,30,31,37)/t21-/m1/s1
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94n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of RTX-induced 45Ca2+ uptake after 20 mins by liquid scintillation c...


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM20287
PNG
(2-[(4-tert-butylphenyl)methyl]-3-({[(3-fluoro-4-me...)
Show SMILES CC(C)(C)C(=O)OCC(CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40FN3O4S2/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-36-25(33)28(4,5)6)17-31-26(37)30-16-20-10-13-24(23(29)15-20)32-38(7,34)35/h8-13,15,21,32H,14,16-18H2,1-7H3,(H2,30,31,37)
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122n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of RTX-induced 45Ca2+ uptake after 20 mins by liquid scintillation c...


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50444873
PNG
(CHEMBL3099611)
Show SMILES CC(C)(C)C(=O)OC[C@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)c(F)c1)Cc1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C28H40FN3O4S2/c1-27(2,3)22-11-8-19(9-12-22)14-21(18-36-25(33)28(4,5)6)17-31-26(37)30-16-20-10-13-24(23(29)15-20)32-38(7,34)35/h8-13,15,21,32H,14,16-18H2,1-7H3,(H2,30,31,37)/t21-/m0/s1
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161n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of RTX-induced 45Ca2+ uptake after 20 mins by liquid scintillation c...


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
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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n/an/an/an/a 1.30n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake after 20 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50444876
PNG
(CHEMBL3099608)
Show SMILES COc1cc(CNC(=S)NC[C@H](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)/t21-/m1/s1
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n/an/an/an/a 0.990n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake after 20 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50444875
PNG
(CHEMBL3099609)
Show SMILES COc1cc(CNC(=S)NC[C@@H](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)/t21-/m0/s1
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n/an/an/an/a 9.60n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake after 20 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50366620
PNG
(RESINIFERATOXIN)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4OC5(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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n/an/an/an/a 0.920n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at human TRPV1 expressed in CHO cells assessed as 45Ca2+ uptake after 20 mins by liquid scintillation counting analysis


Bioorg Med Chem Lett 24: 382-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.064
BindingDB Entry DOI: 10.7270/Q29K4CP9
More data for this
Ligand-Target Pair