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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 = 'BDBM50083154'   
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))
BDBM50083154
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C25H32N4O4/c1-14-9-19(30)10-15(2)20(14)12-21(26)25(33)29-13-18-8-6-5-7-17(18)11-22(29)24(32)28-16(3)23(31)27-4/h5-10,16,21-22,30H,11-13,26H2,1-4H3,(H,27,31)(H,28,32)/t16-,21-,22-/m0/s1
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PC cid
PC sid
UniChem
PubMed
0.0580n/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)


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


(Rattus norvegicus (rat))
BDBM50083154
PNG
((S)-2-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)
Show SMILES CNC(=O)[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C25H32N4O4/c1-14-9-19(30)10-15(2)20(14)12-21(26)25(33)29-13-18-8-6-5-7-17(18)11-22(29)24(32)28-16(3)23(31)27-4/h5-10,16,21-22,30H,11-13,26H2,1-4H3,(H,27,31)(H,28,32)/t16-,21-,22-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem
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)


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