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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 = 'BDBM50120874'   
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


(MOUSE)		BDBM50120874
PNG
(2-(2-{5-Guanidino-2-[3-(3-hydroxy-phenyl)-2-methox...)
Show SMILES CON[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C28H39N7O7/c1-17(27(40)41)32-25(38)22(15-18-8-4-3-5-9-18)34-24(37)21(12-7-13-31-28(29)30)33-26(39)23(35-42-2)16-19-10-6-11-20(36)14-19/h3-6,8-11,14,17,21-23,35-36H,7,12-13,15-16H2,1-2H3,(H,32,38)(H,33,39)(H,34,37)(H,40,41)(H4,29,30,31)/t17-,21-,22-,23-/m0/s1
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PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Daiichi Fine Chemical Co. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Opioid receptor delta 1 by the displacement of [3H]-deltorphin-II in mouse spinal cord

J Med Chem 45: 5081-9 (2002)


BindingDB Entry DOI: 10.7270/Q290233R
More data for this
Ligand-Target Pair