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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 = 'BDBM50025269'   
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


(Homo sapiens (Human))		BDBM50025269
PNG
(CHEMBL3330675)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4cc(OC)c(OC)c(OC)c4)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1)C(=O)OC |r|
Show InChI InChI=1S/C33H38O11/c1-32-11-9-20-31(37)44-25(19-10-12-42-17-19)16-33(20,2)29(32)27(35)22(15-21(32)30(36)41-6)43-26(34)8-7-18-13-23(38-3)28(40-5)24(14-18)39-4/h7-8,10,12-14,17,20-22,25,29H,9,11,15-16H2,1-6H3/b8-7+/t20-,21-,22-,25-,29-,32-,33-/m0/s1
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Similars
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay

Eur J Med Chem 85: 818-29 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.077
BindingDB Entry DOI: 10.7270/Q2VH5QDH
More data for this
Ligand-Target Pair