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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 = 'BDBM50231830'   
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


(Rattus norvegicus (rat))		BDBM50231830
PNG
(CHEMBL4066390)
Show SMILES OC(=O)C(F)(F)F.CC1(C)SCc2ccccc2CSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O |r|
Show InChI InChI=1S/C38H47N5O7S2.C2HF3O2/c1-37(2)31(42-33(46)28(39)18-24-14-16-27(44)17-15-24)35(48)40-20-30(45)41-29(19-23-10-6-5-7-11-23)34(47)43-32(36(49)50)38(3,4)52-22-26-13-9-8-12-25(26)21-51-37;3-2(4,5)1(6)7/h5-17,28-29,31-32,44H,18-22,39H2,1-4H3,(H,40,48)(H,41,45)(H,42,46)(H,43,47)(H,49,50);(H,6,7)/t28-,29-,31-,32-;/m0./s1
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Similars
Article
PubMed
 17n/an/an/an/an/an/an/an/a



Universit£ di Chieti-Pescara"G. d'Annunzio"

Curated by ChEMBL


Assay Description
Displacement of [3H]lleDelt2 from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method

ACS Med Chem Lett 8: 449-454 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00044
BindingDB Entry DOI: 10.7270/Q22F7QP1
More data for this
Ligand-Target Pair