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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 = 'BDBM50027103'   
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))
BDBM50027103
PNG
(CHEMBL2113383)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C25H27N3O2/c1-3-26-25-13-16-15-6-4-5-7-17(15)27-21(16)23-24(25)10-11-28(2)19(25)12-14-8-9-18(29)22(30-23)20(14)24/h4-9,19,23,26-27,29H,3,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1
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PC cid
PC sid
UniChem

Patents

Article
PubMed
0.730n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]C1-DPDPE from human recombinant Opioid receptor delta 1 on CHO cell membranes.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50027103
PNG
(CHEMBL2113383)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NCC)ccc3O |THB:9:8:13:4.5.6|
Show InChI InChI=1S/C25H27N3O2/c1-3-26-25-13-16-15-6-4-5-7-17(15)27-21(16)23-24(25)10-11-28(2)19(25)12-14-8-9-18(29)22(30-23)20(14)24/h4-9,19,23,26-27,29H,3,10-13H2,1-2H3/t19?,23-,24-,25+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/an/an/a 0.330n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Stimulation of [35S]GTP-gamma-S, binding at human recombinant Opioid receptor delta 1 transfected into CHO cells.


J Med Chem 46: 1563-6 (2003)


Article DOI: 10.1021/jm021073r
BindingDB Entry DOI: 10.7270/Q27945F9
More data for this
Ligand-Target Pair