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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50343630'   
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
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50343630
PNG
(Bis((-)-3-aminothiazolo-N-cyclopropylmethylmorphin...)
Show SMILES O=C(CCCCCCCCC(=O)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1)Nc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:55:54:43.42.44:46|
Show InChI InChI=1S/C52H68N6O2S2/c59-47(55-49-53-41-29-39-35(27-45(41)61-49)25-43-37-11-7-9-19-51(37,39)21-23-57(43)31-33-15-16-33)13-5-3-1-2-4-6-14-48(60)56-50-54-42-30-40-36(28-46(42)62-50)26-44-38-12-8-10-20-52(38,40)22-24-58(44)32-34-17-18-34/h27-30,33-34,37-38,43-44H,1-26,31-32H2,(H,53,55,59)(H,54,56,60)/t37-,38-,43+,44+,51+,52+/m0/s1
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Similars
Article
PubMed
 170n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]naltrindole from human delta-opioid receptor expressed in CHO cells after 3 hrs by scintillation counting

Bioorg Med Chem 19: 2808-16 (2011)


Article DOI: 10.1016/j.bmc.2011.03.052
BindingDB Entry DOI: 10.7270/Q2KW5GB1
More data for this
Ligand-Target Pair