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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 = 'BDBM50000509'   
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))
BDBM50000509
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C36H51N7O9S/c1-20(2)16-28(35(51)40-26(14-15-53-4)34(50)41-27(31(38)47)19-30(45)46)43-36(52)29(18-22-8-6-5-7-9-22)42-32(48)21(3)39-33(49)25(37)17-23-10-12-24(44)13-11-23/h5-13,20-21,25-29,44H,14-19,37H2,1-4H3,(H2,38,47)(H,39,49)(H,40,51)(H,41,50)(H,42,48)(H,43,52)(H,45,46)/t21-,25+,26+,27+,28+,29+/m1/s1
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Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE binding to Opioid receptor delta 1


J Med Chem 35: 1222-7 (1992)


Article DOI: 10.1021/jm00085a009
BindingDB Entry DOI: 10.7270/Q29P30K2
More data for this
Ligand-Target Pair