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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 = 'BDBM50020216'   
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))		BDBM50020216
PNG
(CHEMBL413831 | D-Phec(-Cys-Tyr-D-Trp-Lys-Thr-Pen)-...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC(C)(C)[C@H](NC1=O)C(=O)N[C@@H](CO)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C50H67N11O11S2/c1-27(63)40-48(71)61-41(49(72)58-38(25-62)42(53)65)50(2,3)74-73-26-39(59-43(66)33(52)21-28-11-5-4-6-12-28)47(70)56-36(22-29-16-18-31(64)19-17-29)45(68)57-37(23-30-24-54-34-14-8-7-13-32(30)34)46(69)55-35(44(67)60-40)15-9-10-20-51/h4-8,11-14,16-19,24,27,33,35-41,54,62-64H,9-10,15,20-23,25-26,51-52H2,1-3H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,72)(H,59,66)(H,60,67)(H,61,71)/t27-,33-,35+,36+,37+,38+,39+,40+,41-/m1/s1
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity in competition with [3H]- DPDPE in Opioid receptor delta 1 binding to rat brain membrane

J Med Chem 31: 2170-7 (1988)


BindingDB Entry DOI: 10.7270/Q2J38RJX
More data for this
Ligand-Target Pair