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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 = 'BDBM50395106'   
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


(MOUSE)		BDBM50395106
PNG
(CHEMBL2164295)
Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C26H27N3O6/c1-2-11-28-12-10-25-21-15-6-7-19(30)22(21)35-23(25)18(8-9-26(25,32)20(28)14-15)27-24(31)16-4-3-5-17(13-16)29(33)34/h2-7,13,18,20,23,30,32H,1,8-12,14H2,(H,27,31)/t18-,20-,23+,25+,26-/m1/s1
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Similars
Article
PubMed
 1.41n/an/an/an/an/an/an/an/a



Memorial Sloan-Kettering Cancer Center

Curated by ChEMBL


Assay Description
Displacement of [125I]-BNtxA from mouse cloned MOR-1 expressed in CHO cell membrane after 90 mins

J Med Chem 55: 6352-62 (2012)


Article DOI: 10.1021/jm300305c
BindingDB Entry DOI: 10.7270/Q2930V8C
More data for this
Ligand-Target Pair