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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu & delta' and Ligand = 'BDBM50083166'   
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
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083166
PNG
((S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C33H43N3O3/c1-20-9-27(37)10-21(2)28(20)15-30(35(3)4)32(39)36-19-26-8-6-5-7-25(26)14-29(36)31(38)34-33-16-22-11-23(17-33)13-24(12-22)18-33/h5-10,22-24,29-30,37H,11-19H2,1-4H3,(H,34,38)/t22-,23+,24-,29-,30-,33?/m0/s1
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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.120n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by H-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50083166
PNG
((S)-2-[(S)-2-Dimethylamino-3-(4-hydroxy-2,6-dimeth...)
Show SMILES CN(C)[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C33H43N3O3/c1-20-9-27(37)10-21(2)28(20)15-30(35(3)4)32(39)36-19-26-8-6-5-7-25(26)14-29(36)31(38)34-33-16-22-11-23(17-33)13-24(12-22)18-33/h5-10,22-24,29-30,37H,11-19H2,1-4H3,(H,34,38)/t22-,23+,24-,29-,30-,33?/m0/s1
PDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



University of Ferrara

Curated by ChEMBL


Assay Description
Binding affinity at Opioid receptor delta 1 from rat brain synaptosomal preparations by [3H]N,N-(Me)2-Dmt-Tic-OH displacement.


J Med Chem 42: 5010-9 (2000)


Article DOI: 10.1021/jm990165m
BindingDB Entry DOI: 10.7270/Q2VX0FQG
More data for this
Ligand-Target Pair