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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vanilloid receptor' and Ligand = 'BDBM50052327'   
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))
BDBM50052327
PNG
(6-hydroxy-15-isopropenyl-4,13,17-trimethyl-5-oxo-(...)
Show SMILES COc1cc(CC(=O)OCC2=C[C@H]3C4OC5(O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)c2ccccc2)ccc1O |t:10,27,THB:35:15:12:17.19.18,16:15:12:17.19.18|
Show InChI InChI=1S/C36H38O9/c1-20(2)34-17-22(4)35-26(32(34)43-36(44-34,45-35)25-9-7-6-8-10-25)14-24(18-33(40)29(35)13-21(3)31(33)39)19-42-30(38)16-23-11-12-27(37)28(15-23)41-5/h6-15,22,26,29,32,37,40H,1,16-19H2,2-5H3/t22-,26+,29-,32?,33-,34+,35?,36?/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
0.170n/an/an/an/an/an/an/an/a



Institute for Medical Research

Curated by ChEMBL


Assay Description
Binding affinity against Vanilloid receptor in dorsal Root Ganglion (DRG) membranes using [3H]RTX binding assay.


J Med Chem 39: 2939-52 (1996)


Article DOI: 10.1021/jm960139d
BindingDB Entry DOI: 10.7270/Q2CV4JD5
More data for this
Ligand-Target Pair