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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 = 'BDBM50009152'   
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))
BDBM50009152
PNG
(2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylami...)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)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/C37H53N9O9/c1-19(2)30(36(54)41-18-29(40)49)46-37(55)31(20(3)4)45-35(53)27(17-28(39)48)44-34(52)26(16-22-9-7-6-8-10-22)43-32(50)21(5)42-33(51)25(38)15-23-11-13-24(47)14-12-23/h6-14,19-21,25-27,30-31,47H,15-18,38H2,1-5H3,(H2,39,48)(H2,40,49)(H,41,54)(H,42,51)(H,43,50)(H,44,52)(H,45,53)(H,46,55)/t21-,25-,26-,27-,30-,31-/m0/s1
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Similars

Article
PubMed
0.650n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to opioid receptor delta in P2 membrane preparation of rat brain


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair