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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vanilloid receptor' and Ligand = 'BDBM50052320'   
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))
BDBM50052320
PNG
(13-benzyl-6-hydroxy-15-isopropenyl-4,17-dimethyl-5...)
Show SMILES COc1ccc(CC(=O)OCC2=C[C@H]3C4OC5(Cc6ccccc6)O[C@@]4(C[C@@H](C)C3(O5)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)C(C)=C)cc1OC |t:11,36,THB:17:16:13:25.27.26,24:16:13:25.27.26|
Show InChI InChI=1S/C38H42O9/c1-22(2)36-18-24(4)38-28(34(36)45-37(46-36,47-38)20-25-10-8-7-9-11-25)15-27(19-35(41)31(38)14-23(3)33(35)40)21-44-32(39)17-26-12-13-29(42-5)30(16-26)43-6/h7-16,24,28,31,34,41H,1,17-21H2,2-6H3/t24-,28+,31-,34?,35-,36+,37?,38?/m1/s1
PDB
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PC cid
PC sid
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Article
PubMed
1n/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