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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu & delta' and Ligand = 'BDBM50399636'   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50399636
PNG
(CHEMBL2181193)
Show SMILES [#6]-[#6]-[#6]-[#6]-[#6@H](-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c2c(-[#6])cc(-[#8])cc2-[#6])-[#6]-1=O)-[#6](-[#7])=O |r|
Show InChI InChI=1S/C33H48N8O5/c1-4-5-12-28(29(35)43)41-18-22-10-7-6-9-21(22)16-27(32(41)46)40-31(45)26(11-8-13-38-33(36)37)39-30(44)25(34)17-24-19(2)14-23(42)15-20(24)3/h6-7,9-10,14-15,25-28,42H,4-5,8,11-13,16-18,34H2,1-3H3,(H2,35,43)(H,39,44)(H,40,45)(H4,36,37,38)/t25-,26+,27-,28-/m0/s1
PDB

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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.46n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes after 2 hrs


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