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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50019094'   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50019094
PNG
(1-Allyl-3-(3-hydroxy-phenyl)-piperidine-3-carboxyl...)
Show SMILES CCOC(=O)[C@@]1(CCCN(CC=C)C1)c1cccc(O)c1
Show InChI InChI=1S/C17H23NO3/c1-3-10-18-11-6-9-17(13-18,16(20)21-4-2)14-7-5-8-15(19)12-14/h3,5,7-8,12,19H,1,4,6,9-11,13H2,2H3/t17-/m1/s1
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PC cid
PC sid
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PubMed
n/an/an/a 26n/an/an/an/an/a



SRI International

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor mu 1 in rat brain membrane was determined by using curve-fitting ligands ([3H]DHM, [3H]DADL, [3H]DSLET, [3H]EKC)


J Med Chem 31: 2015-21 (1988)


BindingDB Entry DOI: 10.7270/Q2KP82Q2
More data for this
Ligand-Target Pair