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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 = 'BDBM50521442'   
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


(Rattus norvegicus (rat))
BDBM50521442
PNG
(CHEMBL4464497)
Show SMILES OC(=O)C(F)(F)F.COc1ccc(Cc2ccccc2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r|
Show InChI InChI=1S/C26H30N2O3.C2HF3O2/c1-17-11-22(29)12-18(2)23(17)15-24(27)26(30)28-16-21-14-20(9-10-25(21)31-3)13-19-7-5-4-6-8-19;3-2(4,5)1(6)7/h4-12,14,24,29H,13,15-16,27H2,1-3H3,(H,28,30);(H,6,7)/t24-;/m0./s1
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PC cid
PC sid
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Article
PubMed
22n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from rat delta-type opioid receptor expressed in rat C6 cell membranes incubated for 1 hr in shaker by liquid scin...


J Med Chem 62: 4142-4157 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00219
BindingDB Entry DOI: 10.7270/Q23R0X7F
More data for this
Ligand-Target Pair