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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50266336'   
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
Delta-type opioid receptor


(MOUSE)
BDBM50266336
PNG
((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Show SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1C=C |r|
Show InChI InChI=1S/C25H30O8/c1-6-17-14(8-10-31-17)19-12-25(4)15(23(29)33-19)7-9-24(3)16(22(28)30-5)11-18(32-13(2)26)20(27)21(24)25/h6,8,10,15-16,18-19,21H,1,7,9,11-12H2,2-5H3/t15-,16-,18-,19-,21-,24-,25-/m0/s1
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Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



McLean Hospital

Curated by ChEMBL


Assay Description
Binding affinity to mouse DOPR expressed in CHO cells


Bioorg Med Chem 17: 1370-80 (2009)


Article DOI: 10.1016/j.bmc.2008.12.012
BindingDB Entry DOI: 10.7270/Q25H7G4K
More data for this
Ligand-Target Pair