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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 = 'BDBM50077089'   
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))
BDBM50077089
PNG
(4-[(S)-((2S,5R)-4-Benzo[1,3]dioxol-5-ylmethyl-2,5-...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(Cc2ccc3OCOc3c2)C[C@@H]1C)c1ccccc1
Show InChI InChI=1S/C32H39N3O3/c1-5-33(6-2)32(36)28-15-13-27(14-16-28)31(26-10-8-7-9-11-26)35-20-23(3)34(19-24(35)4)21-25-12-17-29-30(18-25)38-22-37-29/h7-18,23-24,31H,5-6,19-22H2,1-4H3/t23-,24+,31+/m1/s1
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Organon Laboratories Ltd.

Curated by ChEMBL


Assay Description
Binding affinity towards mu opioid receptor using [3H]- -DAMGO (1.5 nM) as radioligand in rat brain membranes


Bioorg Med Chem Lett 9: 1329-34 (1999)


BindingDB Entry DOI: 10.7270/Q2V40TCM
More data for this
Ligand-Target Pair