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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 = 'BDBM50013620'   
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))
BDBM50013620
PNG
(2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-mer...)
Show SMILES CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(O)=O
Show InChI InChI=1S/C30H41N5O7S2/c1-29(2,43)23(34-25(38)20(31)14-17-8-6-5-7-9-17)27(40)32-16-22(37)33-21(15-18-10-12-19(36)13-11-18)26(39)35-24(28(41)42)30(3,4)44/h5-13,20-21,23-24,36,43-44H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
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PC cid
PC sid
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Similars

PubMed
11n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DAMGO in guinea pig brain membrane of Opioid receptor mu 1


J Med Chem 33: 1714-20 (1990)


BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50013620
PNG
(2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-mer...)
Show SMILES CC(C)(S)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)S)C(O)=O
Show InChI InChI=1S/C30H41N5O7S2/c1-29(2,43)23(34-25(38)20(31)14-17-8-6-5-7-9-17)27(40)32-16-22(37)33-21(15-18-10-12-19(36)13-11-18)26(39)35-24(28(41)42)30(3,4)44/h5-13,20-21,23-24,36,43-44H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
11n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DADLE in guinea pig brain membrane of Opioid receptor delta 1


J Med Chem 33: 1714-20 (1990)


BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair