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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 = 'BDBM50199864'   
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


(Rattus norvegicus (rat))
BDBM50199864
PNG
((S)-N-((S)-1-((S)-1-(allylamino)-1-oxo-3-phenylpro...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=C
Show InChI InChI=1S/C40H49N5O5/c1-5-19-41-35(26-32-27(3)22-31(46)23-28(32)4)40(50)45-21-13-18-36(45)39(49)44-34(25-30-16-11-8-12-17-30)38(48)43-33(37(47)42-20-6-2)24-29-14-9-7-10-15-29/h5-12,14-17,22-23,33-36,41,46H,1-2,13,18-21,24-26H2,3-4H3,(H,42,47)(H,43,48)(H,44,49)/t33-,34-,35-,36-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.42E+3n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin 2 from delta opioid receptor in rat brain P2 synaptosome


Bioorg Med Chem 15: 1237-51 (2007)


Article DOI: 10.1016/j.bmc.2006.11.019
BindingDB Entry DOI: 10.7270/Q2348K1F
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50199864
PNG
((S)-N-((S)-1-((S)-1-(allylamino)-1-oxo-3-phenylpro...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](NCC=C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=C
Show InChI InChI=1S/C40H49N5O5/c1-5-19-41-35(26-32-27(3)22-31(46)23-28(32)4)40(50)45-21-13-18-36(45)39(49)44-34(25-30-16-11-8-12-17-30)38(48)43-33(37(47)42-20-6-2)24-29-14-9-7-10-15-29/h5-12,14-17,22-23,33-36,41,46H,1-2,13,18-21,24-26H2,3-4H3,(H,42,47)(H,43,48)(H,44,49)/t33-,34-,35-,36-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically evoked muscle contractions


Bioorg Med Chem 15: 1237-51 (2007)


Article DOI: 10.1016/j.bmc.2006.11.019
BindingDB Entry DOI: 10.7270/Q2348K1F
More data for this
Ligand-Target Pair