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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 = 'BDBM50027096'   
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))
BDBM50027096
PNG
(CHEMBL2113381)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C28H31N3O3/c1-3-4-9-22(33)30-28-15-18-17-7-5-6-8-19(17)29-24(18)26-27(28)12-13-31(2)21(28)14-16-10-11-20(32)25(34-26)23(16)27/h5-8,10-11,21,26,29,32H,3-4,9,12-15H2,1-2H3,(H,30,33)/t21?,26-,27-,28+/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/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))
BDBM50027096
PNG
(CHEMBL2113381)
Show SMILES [H][C@@]12Oc3c4c(CC5N(C)CC[C@@]14[C@]5(Cc1c2[nH]c2ccccc12)NC(=O)CCCC)ccc3O |TLB:9:8:13:4.5.6|
Show InChI InChI=1S/C28H31N3O3/c1-3-4-9-22(33)30-28-15-18-17-7-5-6-8-19(17)29-24(18)26-27(28)12-13-31(2)21(28)14-16-10-11-20(32)25(34-26)23(16)27/h5-8,10-11,21,26,29,32H,3-4,9,12-15H2,1-2H3,(H,30,33)/t21?,26-,27-,28+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 3.30n/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