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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 = 'BDBM50123648'   
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))		BDBM50123648
PNG
(3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...)
Show SMILES C[C@@H]1CN([C@@H](c2cccc(O)c2)c2cccc(c2)C(=O)N(C)c2ccccc2C(F)(F)F)[C@@H](C)CN1CC=C
Show InChI InChI=1S/C31H34F3N3O2/c1-5-16-36-19-22(3)37(20-21(36)2)29(24-11-9-13-26(38)18-24)23-10-8-12-25(17-23)30(39)35(4)28-15-7-6-14-27(28)31(32,33)34/h5-15,17-18,21-22,29,38H,1,16,19-20H2,2-4H3/t21-,22+,29-/m1/s1
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Article
PubMed
 2.31n/an/an/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Binding affinity of compound evaluated for Opioid receptor delta 1 isolated from rat brain

J Med Chem 46: 623-33 (2003)


Article DOI: 10.1021/jm020395s
BindingDB Entry DOI: 10.7270/Q2DZ0915
More data for this
Ligand-Target Pair