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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 = 'BDBM50138768'   
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)		BDBM50138768
PNG
(CHEMBL438781 | Linear [D-Asp2,Dap5]Dyn A-(1-13)NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CN)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C74H124N26O16/c1-5-42(4)59(70(115)95-51(23-15-33-88-74(84)85)71(116)100-34-16-24-56(100)69(114)94-48(20-10-12-30-76)64(109)97-52(35-41(2)3)66(111)91-47(60(79)105)19-9-11-29-75)99-65(110)50(22-14-32-87-73(82)83)92-63(108)49(21-13-31-86-72(80)81)93-68(113)55(39-77)98-67(112)53(37-43-17-7-6-8-18-43)90-57(102)40-89-62(107)54(38-58(103)104)96-61(106)46(78)36-44-25-27-45(101)28-26-44/h6-8,17-18,25-28,41-42,46-56,59,101H,5,9-16,19-24,29-40,75-78H2,1-4H3,(H2,79,105)(H,89,107)(H,90,102)(H,91,111)(H,92,108)(H,93,113)(H,94,114)(H,95,115)(H,96,106)(H,97,109)(H,98,112)(H,99,110)(H,103,104)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t42-,46-,47-,48-,49-,50-,51-,52-,53-,54+,55-,56-,59-/m0/s1
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Similars
Article
PubMed
 3.90n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Binding affinity towards opioid receptor delta 1 expressed in CHO cells was determined by using [3H]-DPDPE as radioligand

J Med Chem 47: 446-55 (2004)


Article DOI: 10.1021/jm030298e
BindingDB Entry DOI: 10.7270/Q2Q23ZN2
More data for this
Ligand-Target Pair