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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vanilloid receptor' and Ligand = 'BDBM50247741'   
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))
BDBM50247741
PNG
(CHEMBL503101 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
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)ccc1NS(C)(=O)=O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26|
Show InChI InChI=1S/C38H43NO10S/c1-22(2)36-18-24(4)38-28(34(36)47-37(48-36,49-38)20-25-10-8-7-9-11-25)15-27(19-35(42)31(38)14-23(3)33(35)41)21-46-32(40)17-26-12-13-29(30(16-26)45-5)39-50(6,43)44/h7-16,24,28,31,34,39,42H,1,17-21H2,2-6H3/t24-,28+,31-,34-,35-,36+,37?,38-/m1/s1
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.228n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]RTX form rat TRPV1 receptor expressed in CHO/VR1 cell system


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair
Vanilloid receptor


(Rattus norvegicus (rat))
BDBM50247741
PNG
(CHEMBL503101 | [(1R,2R,6R,10S,11R,15S,17R)-13-benz...)
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)ccc1NS(C)(=O)=O |r,t:10,35,TLB:23:15:12:24.25.26,THB:16:15:12:24.25.26|
Show InChI InChI=1S/C38H43NO10S/c1-22(2)36-18-24(4)38-28(34(36)47-37(48-36,49-38)20-25-10-8-7-9-11-25)15-27(19-35(42)31(38)14-23(3)33(35)41)21-46-32(40)17-26-12-13-29(30(16-26)45-5)39-50(6,43)44/h7-16,24,28,31,34,39,42H,1,17-21H2,2-6H3/t24-,28+,31-,34-,35-,36+,37?,38-/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.106n/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Agonist activity at rat TRPV1 receptor expressed in CHO cells assessed as calcium uptake


Bioorg Med Chem 17: 690-8 (2009)


Article DOI: 10.1016/j.bmc.2008.11.085
BindingDB Entry DOI: 10.7270/Q2CJ8FCW
More data for this
Ligand-Target Pair