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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 = 'BDBM50042762'   
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))
BDBM50042762
PNG
(CHEMBL339456 | H-Tyr-D-Ala-Nap(1)-Asp-Val-Val-Gly-...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C41H54N8O10/c1-21(2)34(40(58)44-20-32(43)51)49-41(59)35(22(3)4)48-39(57)31(19-33(52)53)47-38(56)30(18-26-11-8-10-25-9-6-7-12-28(25)26)46-36(54)23(5)45-37(55)29(42)17-24-13-15-27(50)16-14-24/h6-16,21-23,29-31,34-35,50H,17-20,42H2,1-5H3,(H2,43,51)(H,44,58)(H,45,55)(H,46,54)(H,47,56)(H,48,57)(H,49,59)(H,52,53)/t23-,29+,30+,31+,34+,35+/m1/s1
PDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
0.610n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity was determined on delta [3H]-DPDPE site in rat brain synaptosomes by radioreceptor assay


J Med Chem 36: 3748-56 (1994)


BindingDB Entry DOI: 10.7270/Q2D799HM
More data for this
Ligand-Target Pair