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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 = 'BDBM50188202'   
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))
BDBM50188202
PNG
(4-[(2S)-3-{[(2S)-1-{[(2S)-1-[(2S)-2-({[(2S,3R)-1-[...)
Show SMILES CCN[C@H](CN[C@H](CN[C@H](CN1CCC[C@H]1CN[C@@H](CN1CCC[C@H]1CN)[C@@H](C)O)Cc1ccccc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C43H67N7O3/c1-3-45-36(23-34-13-17-41(52)18-14-34)27-46-37(24-35-15-19-42(53)20-16-35)28-47-38(25-33-9-5-4-6-10-33)30-49-21-8-12-40(49)29-48-43(32(2)51)31-50-22-7-11-39(50)26-44/h4-6,9-10,13-20,32,36-40,43,45-48,51-53H,3,7-8,11-12,21-31,44H2,1-2H3/t32-,36+,37+,38+,39+,40+,43+/m1/s1
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Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Institute for Molecular Studies

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate


Bioorg Med Chem Lett 16: 4331-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.053
BindingDB Entry DOI: 10.7270/Q2028R47
More data for this
Ligand-Target Pair