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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 = 'BDBM50157797'   
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))
BDBM50157797
PNG
(17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CCc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C34H38N2O3/c37-27-13-12-23-18-28-34(38)19-25-24-8-4-5-9-26(24)36(16-14-21-6-2-1-3-7-21)30(25)32-33(34,29(23)31(27)39-32)15-17-35(28)20-22-10-11-22/h1-3,6-7,12-13,22,28,32,37-38H,4-5,8-11,14-20H2/t28?,32-,33-,34+/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.80n/an/an/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Displacement of [3H]Cl-DPDPE from human recombinant delta opioid receptor expressed in CHO cells


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50157797
PNG
(17-cyclopropylmethyl-6-7-didehydro-3,14-dihydroxy-...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1c(C[C@@]35O)c2CCCCc2n1CCc1ccccc1 |r,TLB:3:4:22:13.12.7,17:18:22:13.12.7|
Show InChI InChI=1S/C34H38N2O3/c37-27-13-12-23-18-28-34(38)19-25-24-8-4-5-9-26(24)36(16-14-21-6-2-1-3-7-21)30(25)32-33(34,29(23)31(27)39-32)15-17-35(28)20-22-10-11-22/h1-3,6-7,12-13,22,28,32,37-38H,4-5,8-11,14-20H2/t28?,32-,33-,34+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 110n/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assay


J Med Chem 47: 6645-8 (2004)


Article DOI: 10.1021/jm040817t
BindingDB Entry DOI: 10.7270/Q2C53MNV
More data for this
Ligand-Target Pair