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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 = 'BDBM50128075'   
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


(Homo sapiens (Human))
BDBM50128075
PNG
(CHEMBL218452 | ENKEPHALIN | Enkephalin | Leu-enkep...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1S/C67H113N25O12/c1-5-39(4)53(63(104)88-47(21-13-31-81-66(75)76)58(99)85-45(19-11-29-79-64(71)72)56(97)84-44(54(70)95)18-9-10-28-68)91-59(100)48(22-14-32-82-67(77)78)86-57(98)46(20-12-30-80-65(73)74)87-60(101)49(34-38(2)3)89-61(102)50(36-40-16-7-6-8-17-40)90-62(103)51-23-15-33-92(51)52(94)37-83-55(96)43(69)35-41-24-26-42(93)27-25-41/h6-8,16-17,24-27,38-39,43-51,53,93H,5,9-15,18-23,28-37,68-69H2,1-4H3,(H2,70,95)(H,83,96)(H,84,97)(H,85,99)(H,86,98)(H,87,101)(H,88,104)(H,89,102)(H,90,103)(H,91,100)(H4,71,72,79)(H4,73,74,80)(H4,75,76,81)(H4,77,78,82)/t39-,43-,44-,45+,46-,47-,48-,49-,50-,51?,53-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.700n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
In vitro binding affinity to human Opioid receptor delta 1 on CHO cell membranes using [3H]diprenorphine displacement.


J Med Chem 46: 2104-9 (2003)


Article DOI: 10.1021/jm020125+
BindingDB Entry DOI: 10.7270/Q2NZ88CF
More data for this
Ligand-Target Pair