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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu/kappa/delta' and Ligand = 'BDBM50127163'   
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/kappa/delta


(Homo sapiens (Human))
BDBM50127163
PNG
(4-allyl-10-hydroxy-17-(3-phenylpropoxy)-(13R,17S)-...)
Show SMILES Oc1ccc2CC3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35OCCCc1ccccc1 |TLB:16:17:22:7.12.11,3:4:22:7.12.11|
Show InChI InChI=1S/C28H31NO4/c1-2-15-29-16-14-27-24-20-10-11-21(30)25(24)33-26(27)22(31)12-13-28(27,23(29)18-20)32-17-6-9-19-7-4-3-5-8-19/h2-5,7-8,10-11,23,26,30H,1,6,9,12-18H2/t23?,26-,27-,28+/m0/s1
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Patents

Article
PubMed
0.110n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
In vitro binding affinity at opioid receptor kappa 1 was determined in human CHO cells using [3H]U-69593


J Med Chem 46: 1758-63 (2003)


Article DOI: 10.1021/jm021118o
BindingDB Entry DOI: 10.7270/Q2V125JQ
More data for this
Ligand-Target Pair