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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 = 'BDBM50040487'   
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))
BDBM50040487
PNG
(17-(cyclopropylmethyl)4,5-alpha-epoxy-3,14-dihydro...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)C1(Cc2ccccc2C1)C[C@@]35O |TLB:17:18:31:7.13.12,3:4:31:7.13.12|
Show InChI InChI=1S/C28H29NO4/c30-20-8-7-17-11-21-28(32)15-26(12-18-3-1-2-4-19(18)13-26)24(31)25-27(28,22(17)23(20)33-25)9-10-29(21)14-16-5-6-16/h1-4,7-8,16,21,25,30,32H,5-6,9-15H2/t21?,25-,27-,28+/m0/s1
PDB

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PC cid
PC sid
UniChem
PubMed
0.0470n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Tested for binding activity against delta opioid receptor using [3H]naltridole ligand


J Med Chem 37: 579-85 (1994)


BindingDB Entry DOI: 10.7270/Q2CF9QRG
More data for this
Ligand-Target Pair