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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 = 'BDBM50399643'   
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)
BDBM50399643
PNG
(CHEMBL2181201)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1c(-[#6])cc(-[#8])cc1-[#6])-[#6](-[#7])=O |r|
Show InChI InChI=1S/C32H48N8O5/c1-4-5-12-25(28(34)42)38-31(45)27(17-21-10-7-6-8-11-21)40-30(44)26(13-9-14-37-32(35)36)39-29(43)24(33)18-23-19(2)15-22(41)16-20(23)3/h6-8,10-11,15-16,24-27,41H,4-5,9,12-14,17-18,33H2,1-3H3,(H2,34,42)(H,38,45)(H,39,43)(H,40,44)(H4,35,36,37)/t24-,25-,26+,27-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens


J Med Chem 55: 9549-61 (2012)


Article DOI: 10.1021/jm3008079
BindingDB Entry DOI: 10.7270/Q2TM7C82
More data for this
Ligand-Target Pair