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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 = 'BDBM50188182'   
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))		BDBM50188182
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](CN[C@H](CN)CCSC)[C@@H](C)O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)Cc1ccc(O)cc1
Show InChI InChI=1S/C43H69N7O4S/c1-4-45-36(22-32-7-13-40(52)14-8-32)26-46-37(23-33-9-15-41(53)16-10-33)27-47-38(24-34-11-17-42(54)18-12-34)30-50-20-5-6-39(50)28-49-43(31(2)51)29-48-35(25-44)19-21-55-3/h7-18,31,35-39,43,45-49,51-54H,4-6,19-30,44H2,1-3H3/t31-,35+,36+,37+,38+,39+,43+/m1/s1
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Article
PubMed
n/an/a 112n/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