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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 = 'BDBM50143269'   
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))
BDBM50143269
PNG
(7-[2-((S)-2-Acetylamino-5-(R)-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C33H57N11O7/c1-19(45)40-23(12-7-16-38-32(35)36)28(47)43-25(18-20-8-3-2-4-9-20)29(48)42-24-15-14-21-10-5-13-26(44(21)31(24)50)30(49)41-22(27(34)46)11-6-17-39-33(37)51/h20-26H,2-18H2,1H3,(H2,34,46)(H,40,45)(H,41,49)(H,42,48)(H,43,47)(H4,35,36,38)(H3,37,39,51)/t21-,22-,23+,24?,25-,26?/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human Opioid receptor mu 1 (hMOR) was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50143269
PNG
(7-[2-((S)-2-Acetylamino-5-(R)-guanidino-pentanoyla...)
Show SMILES [H][C@]12[#6]-[#6]-[#6]-[#6@H](-[#7]1-[#6](=O)-[#6@H](-[#6]-[#6]2)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#6](-[#7])=O
Show InChI InChI=1S/C33H57N11O7/c1-19(45)40-23(12-7-16-38-32(35)36)28(47)43-25(18-20-8-3-2-4-9-20)29(48)42-24-15-14-21-10-5-13-26(44(21)31(24)50)30(49)41-22(27(34)46)11-6-17-39-33(37)51/h20-26H,2-18H2,1H3,(H2,34,46)(H,40,45)(H,41,49)(H,42,48)(H,43,47)(H4,35,36,38)(H3,37,39,51)/t21-,22-,23+,24?,25-,26?/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Vrije Universiteit Brussel

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor delta 1 was determined using [3H]diprenorphine in vitro transfected to COS-1 cells


J Med Chem 47: 1864-7 (2004)


Article DOI: 10.1021/jm031034v
BindingDB Entry DOI: 10.7270/Q25D8R81
More data for this
Ligand-Target Pair