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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 = 'BDBM50299729'   
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))
BDBM50299729
PNG
(CHEMBL575451 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C30H30N2O4/c1-35-23-11-10-21-17-24-30(31-25(34)12-9-19-5-3-2-4-6-19)14-13-22(33)28-29(30,26(21)27(23)36-28)15-16-32(24)18-20-7-8-20/h2-6,10-11,20,24,28H,7-8,13-18H2,1H3,(H,31,34)/t24-,28+,29+,30-/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Displacement of [3H]DPDPE from human recombinant delta opioid receptor expressed in CHO cells by liquid scintillation counting


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50299729
PNG
(CHEMBL575451 | N-Cyclopropylmethyl-14beta-[phenylp...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C30H30N2O4/c1-35-23-11-10-21-17-24-30(31-25(34)12-9-19-5-3-2-4-6-19)14-13-22(33)28-29(30,26(21)27(23)36-28)15-16-32(24)18-20-7-8-20/h2-6,10-11,20,24,28H,7-8,13-18H2,1H3,(H,31,34)/t24-,28+,29+,30-/m1/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 75n/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Agonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding


J Med Chem 52: 6926-30 (2009)


Article DOI: 10.1021/jm901074a
BindingDB Entry DOI: 10.7270/Q2GH9J1M
More data for this
Ligand-Target Pair