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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 = 'BDBM50009677'   
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))		BDBM50009677
PNG
(4-Amino-N-[3-(4-amino-butyrylamino)-propyl]-N-{3-[...)
Show SMILES NCCCC(=O)NCCCN(CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)CCCN
Show InChI InChI=1S/C36H55N9O7/c37-16-4-10-31(47)40-18-6-20-45(34(50)11-5-17-38)21-7-19-41-36(52)30(23-26-8-2-1-3-9-26)44-33(49)25-42-32(48)24-43-35(51)29(39)22-27-12-14-28(46)15-13-27/h1-3,8-9,12-15,29-30,46H,4-7,10-11,16-25,37-39H2,(H,40,47)(H,41,52)(H,42,48)(H,43,51)(H,44,49)/t29-,30-/m0/s1
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PubMed
 8.43E+3n/an/an/an/an/an/an/an/a



Case Western Reserve University

Curated by ChEMBL


Assay Description
The compound was tested for binding activity towards Opioid receptor delta 1 in guinea pig brain membranes.

J Med Chem 34: 2816-21 (1991)


BindingDB Entry DOI: 10.7270/Q2J965CZ
More data for this
Ligand-Target Pair