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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 = 'BDBM50256743'   
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))		BDBM50256743
PNG
(CHEMBL4085033)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)C2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r,wU:1.1,34.36,13.13,wD:22.48,(31.33,-29.37,;31.36,-27.84,;30.06,-27.03,;28.71,-27.77,;28.67,-29.31,;27.33,-30.05,;26,-29.25,;24.66,-29.99,;26.04,-27.71,;27.38,-26.97,;32.71,-27.09,;32.75,-25.56,;34.11,-27.94,;35.54,-27.15,;36.86,-27.94,;38.21,-27.22,;39.51,-28.01,;40.86,-27.27,;40.9,-25.73,;42.25,-24.98,;43.52,-25.82,;42.25,-20.87,;43.65,-20.12,;43.7,-18.53,;41.31,-17.46,;41.22,-15.87,;39.93,-18.27,;40.72,-19.65,;39.93,-21.02,;38.34,-21.02,;37.54,-19.65,;38.34,-18.27,;38.3,-22.61,;39.66,-23.44,;36.96,-23.34,;35.61,-22.6,;34.89,-21.23,;35.71,-19.94,;35,-18.57,;33.46,-18.52,;32.64,-19.83,;33.36,-21.18,;36.93,-24.88,;35.57,-25.61,;34.26,-24.82,;45.01,-20.96,;46.41,-20.21,;44.96,-22.55,)|
Show InChI InChI=1S/C34H45N7O7/c35-25(18-22-9-11-24(42)12-10-22)32(46)38-26-8-4-5-15-37-29(43)20-27(30(36)44)39-31(45)23-13-16-41(17-14-23)34(48)28(40-33(26)47)19-21-6-2-1-3-7-21/h1-3,6-7,9-12,23,25-28,42H,4-5,8,13-20,35H2,(H2,36,44)(H,37,43)(H,38,46)(H,39,45)(H,40,47)/t25-,26+,27-,28-/m0/s1
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Article
PubMed
 77n/an/an/an/an/an/an/an/a



Department of Biomolecular Chemistry, Faculty of Medicine, Medical University of Lodz, Mazowiecka 6/8, 92-215 Lodz, Poland.

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-2 from recombinant human delta opioid receptor expressed in CHO cell membranes after 120 mins by liquid scintillation ...

Bioorg Med Chem 25: 2399-2405 (2017)


Article DOI: 10.1016/j.bmc.2017.02.057
BindingDB Entry DOI: 10.7270/Q2ZP48J6
More data for this
Ligand-Target Pair