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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 = 'BDBM50031224'   
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))		BDBM50031224
PNG
((S)-3-((S)-2-{(S)-2-[(S)-2-((S)-2-{(R)-2-[(S)-2-Am...)
Show SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C41H56N10O10S2/c1-23(36(56)47-29(13-15-62-2)38(58)49-31(35(43)55)20-34(53)54)46-40(60)33(19-26-21-44-22-45-26)51-41(61)32(18-24-7-5-4-6-8-24)50-39(59)30(14-16-63-3)48-37(57)28(42)17-25-9-11-27(52)12-10-25/h4-12,21-23,28-33,52H,13-20,42H2,1-3H3,(H2,43,55)(H,44,45)(H,46,60)(H,47,56)(H,48,57)(H,49,58)(H,50,59)(H,51,61)(H,53,54)/t23-,28-,29-,30+,31-,32-,33-/m0/s1
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Similars
PubMed
 1.71n/an/an/an/an/an/an/an/a



Tohoku College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain delta receptor

J Med Chem 38: 3995-9 (1995)


BindingDB Entry DOI: 10.7270/Q2P849WG
More data for this
Ligand-Target Pair