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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 = 'BDBM50454611'   
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))		BDBM50454611
PNG
(CHEMBL2370048)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O
Show InChI InChI=1S/C29H45N7O9/c1-14(2)22(26(43)32-13-20(31)38)35-27(44)23(15(3)4)34-25(42)19(12-21(39)40)33-28(45)29(5,6)36-24(41)18(30)11-16-7-9-17(37)10-8-16/h7-10,14-15,18-19,22-23,37H,11-13,30H2,1-6H3,(H2,31,38)(H,32,43)(H,33,45)(H,34,42)(H,35,44)(H,36,41)(H,39,40)/t18-,19-,22-,23-/m0/s1
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Similars
Article
PubMed
 2.63E+3n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Affinity of the compound was assessed using competitive binding assay labeled with [3H]-DPDPE (6.3 nM) for Opioid receptor delta 1

J Med Chem 40: 2579-87 (1997)


Article DOI: 10.1021/jm9700530
BindingDB Entry DOI: 10.7270/Q25M64T2
More data for this
Ligand-Target Pair