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Articleid 50029449

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
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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PDB
Article
23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-RTX binding from vanilloid receptor


Bioorg Med Chem Lett 5: 1331-1334 (1995)


Article DOI: 10.1016/0960-894X(95)00217-H
BindingDB Entry DOI: 10.7270/Q2CJ8DFC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50284628
PNG
(13-benzyl-6-hydroxy-8-[4-hydroxy-3-methoxyanilino(...)
Show SMILES COc1cc(NC(=S)NCC2=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/C36H40N2O7S/c1-20(2)34-16-22(4)36-26(31(34)43-35(44-34,45-36)18-23-9-7-6-8-10-23)14-24(17-33(41)29(36)13-21(3)30(33)40)19-37-32(46)38-25-11-12-27(39)28(15-25)42-5/h6-15,22,26,29,31,39,41H,1,16-19H2,2-5H3,(H2,37,38,46)/t22-,26+,29-,31-,33-,34-,35?,36-/m1/s1
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Article
66n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-RTX binding from vanilloid receptor


Bioorg Med Chem Lett 5: 1331-1334 (1995)


Article DOI: 10.1016/0960-894X(95)00217-H
BindingDB Entry DOI: 10.7270/Q2CJ8DFC
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))
BDBM50284629
PNG
(13-benzyl-6-hydroxy-8-[4-hydroxy-3-methoxybenzylam...)
Show SMILES COc1cc(CNC(=S)NCC2=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/C37H42N2O7S/c1-21(2)35-16-23(4)37-27(32(35)44-36(45-35,46-37)18-24-9-7-6-8-10-24)14-26(17-34(42)30(37)13-22(3)31(34)41)20-39-33(47)38-19-25-11-12-28(40)29(15-25)43-5/h6-15,23,27,30,32,40,42H,1,16-20H2,2-5H3,(H2,38,39,47)/t23-,27+,30-,32-,34-,35-,36?,37-/m1/s1
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Article
149n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-RTX binding from vanilloid receptor


Bioorg Med Chem Lett 5: 1331-1334 (1995)


Article DOI: 10.1016/0960-894X(95)00217-H
BindingDB Entry DOI: 10.7270/Q2CJ8DFC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%