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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 = 'BDBM50001163'   
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


(Rattus norvegicus (rat))
BDBM50001163
PNG
(CHEMBL2112570)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(ncnc21)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C28H27N3O3/c32-20-9-8-18-12-21-28(33)13-19-23(17-4-2-1-3-5-17)29-15-30-24(19)26-27(28,22(18)25(20)34-26)10-11-31(21)14-16-6-7-16/h1-5,8-9,15-16,21,26,32-33H,6-7,10-14H2/t21-,26+,27+,28-/m1/s1
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Article
PubMed
229n/an/an/an/an/an/an/an/a



University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS)

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 from rat brain membranes using [3H]DADLE


J Med Chem 48: 1620-9 (2005)

Checked by Author
Article DOI: 10.1021/jm049117e
BindingDB Entry DOI: 10.7270/Q2ZP47MP
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50001163
PNG
(CHEMBL2112570)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c(ncnc21)-c1ccccc1)ccc3O |THB:10:9:17:4.5.6|
Show InChI InChI=1S/C28H27N3O3/c32-20-9-8-18-12-21-28(33)13-19-23(17-4-2-1-3-5-17)29-15-30-24(19)26-27(28,22(18)25(20)34-26)10-11-31(21)14-16-6-7-16/h1-5,8-9,15-16,21,26,32-33H,6-7,10-14H2/t21-,26+,27+,28-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
230n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 was determined by inhibition of binding of [3H]DADLE (1.3-2.0 nM) to rat brain membranes


J Med Chem 42: 3527-38 (1999)


Article DOI: 10.1021/jm990039i
BindingDB Entry DOI: 10.7270/Q2QR4XSQ
More data for this
Ligand-Target Pair