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BDBM50223620 1-alpha-mesyloxysalvinorin A::CHEMBL439569

SMILES: COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OS(C)(=O)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1

InChI Key: InChIKey=CCBGZCQYEMWOAI-JXSPNISDSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50223620   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50223620
PNG
(1-alpha-mesyloxysalvinorin A | CHEMBL439569)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)[C@H](OS(C)(=O)=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1
Show InChI InChI=1S/C24H32O10S/c1-13(25)32-17-10-16(21(26)30-4)23(2)8-6-15-22(27)33-18(14-7-9-31-12-14)11-24(15,3)20(23)19(17)34-35(5,28)29/h7,9,12,15-20H,6,8,10-11H2,1-5H3/t15-,16-,17-,18-,19-,20-,23-,24-/m0/s1
PDB

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Article
PubMed
n/an/an/an/a 2.70E+3n/an/an/an/a



Holden Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor by [35S]GTPgammaS binding assay


Bioorg Med Chem Lett 17: 6111-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.050
BindingDB Entry DOI: 10.7270/Q23T9GZK
More data for this
Ligand-Target Pair