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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 = 'BDBM50545385'   
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))
BDBM50545385
PNG
(CHEMBL4635430)
Show SMILES CC(=O)NC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=C)C(N)=O)c1ccco1 |r|
Show InChI InChI=1S/C31H36N6O7/c1-18(28(33)40)27(26-9-6-14-44-26)37-30(42)24(16-20-7-4-3-5-8-20)35-31(43)25(17-34-19(2)38)36-29(41)23(32)15-21-10-12-22(39)13-11-21/h3-14,23-25,27,39H,1,15-17,32H2,2H3,(H2,33,40)(H,34,38)(H,35,43)(H,36,41)(H,37,42)/t23-,24-,25+,27+/m0/s1
PDB

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PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [3H]-DPDPE from Wistar rat delta opioid receptor incubated for 3 hrs by liquid scintillation counting method


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115438
BindingDB Entry DOI: 10.7270/Q2F47SQM
More data for this
Ligand-Target Pair