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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 = 'BDBM50108960'   
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


(Homo sapiens (Human))		BDBM50108960
PNG
(CHEMBL3597153)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CCCCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C90H148N20O27/c1-46(2)36-59(75(95)122)103-85(132)65(45-136-88-74(121)73(120)72(119)66(44-111)137-88)107-80(127)57(25-17-20-34-92)102-82(129)61(38-48(5)6)104-76(123)50(9)98-79(126)56(24-16-19-33-91)101-81(128)58(31-32-70(117)118)108-89(135)90(11,12)110-86(133)62(39-49(7)8)106-84(131)64(42-67(94)114)99-68(115)26-18-21-35-96-78(125)60(37-47(3)4)105-83(130)63(41-52-22-14-13-15-23-52)100-69(116)43-97-87(134)71(51(10)112)109-77(124)55(93)40-53-27-29-54(113)30-28-53/h13-15,22-23,27-30,46-51,55-66,71-74,88,111-113,119-121H,16-21,24-26,31-45,91-93H2,1-12H3,(H2,94,114)(H2,95,122)(H,96,125)(H,97,134)(H,98,126)(H,99,115)(H,100,116)(H,101,128)(H,102,129)(H,103,132)(H,104,123)(H,105,130)(H,106,131)(H,107,127)(H,108,135)(H,109,124)(H,110,133)(H,117,118)/t50-,51+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66+,71-,72+,73-,74+,88+/m0/s1
PDB

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Similars
Article
PubMed
 3.80n/an/an/an/an/an/an/an/a



The University of Arizona

Curated by ChEMBL


Assay Description
Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting analysis

J Med Chem 58: 5728-41 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00014
BindingDB Entry DOI: 10.7270/Q2KH0Q33
More data for this
Ligand-Target Pair