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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 = 'BDBM50059814'   
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))
BDBM50059814
PNG
(4-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...)
Show SMILES CCCN(CCC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C30H43N3O2/c1-7-17-31(18-8-2)30(34)26-15-13-25(14-16-26)29(27-11-10-12-28(20-27)35-6)33-22-23(4)32(19-9-3)21-24(33)5/h9-16,20,23-24,29H,3,7-8,17-19,21-22H2,1-2,4-6H3/t23-,24+,29-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 by the inhibition of binding of [3H]-p-DPDPE human cloned receptors.


J Med Chem 40: 2936-47 (1997)


Article DOI: 10.1021/jm970106d
BindingDB Entry DOI: 10.7270/Q2G44QZ3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50059814
PNG
(4-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-y...)
Show SMILES CCCN(CCC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C30H43N3O2/c1-7-17-31(18-8-2)30(34)26-15-13-25(14-16-26)29(27-11-10-12-28(20-27)35-6)33-22-23(4)32(19-9-3)21-24(33)5/h9-16,20,23-24,29H,3,7-8,17-19,21-22H2,1-2,4-6H3/t23-,24+,29-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Binding affinity for Opioid receptor delta 1 by the inhibition of binding of [3H]DADAL in rat brain membranes.


J Med Chem 40: 2936-47 (1997)


Article DOI: 10.1021/jm970106d
BindingDB Entry DOI: 10.7270/Q2G44QZ3
More data for this
Ligand-Target Pair