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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50268530'   
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))
BDBM50268530
PNG
((3S,6R,9S,14aR)-3,9-dibenzyl-6-methyldecahydropyrr...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r|
Show InChI InChI=1S/C26H30N4O4/c1-17-23(31)29-21(16-19-11-6-3-7-12-19)26(34)30-14-8-13-22(30)25(33)28-20(24(32)27-17)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-22H,8,13-16H2,1H3,(H,27,32)(H,28,33)(H,29,31)/t17-,20+,21+,22-/m1/s1
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Adolor Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay


Bioorg Med Chem Lett 19: 3647-50 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.105
BindingDB Entry DOI: 10.7270/Q2HT2Q8K
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50268530
PNG
((3S,6R,9S,14aR)-3,9-dibenzyl-6-methyldecahydropyrr...)
Show SMILES C[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |r|
Show InChI InChI=1S/C26H30N4O4/c1-17-23(31)29-21(16-19-11-6-3-7-12-19)26(34)30-14-8-13-22(30)25(33)28-20(24(32)27-17)15-18-9-4-2-5-10-18/h2-7,9-12,17,20-22H,8,13-16H2,1H3,(H,27,32)(H,28,33)(H,29,31)/t17-,20+,21+,22-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01915
BindingDB Entry DOI: 10.7270/Q22B931S
More data for this
Ligand-Target Pair