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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50084248'   
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))
BDBM50084248
PNG
(CHEMBL124642 | CHEMBL555571 | N,N-Diethyl-4-[(4-me...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
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PC cid
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PubMed
43n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
In vitro binding affinity to Opioid receptor delta 1 in rat brain membranes by [3H]DADLE (Tyr-D-Ala-Gly-Phe-D-Leu) displacement.


J Med Chem 42: 5455-63 (2000)


BindingDB Entry DOI: 10.7270/Q2QJ7J0X
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50084248
PNG
(CHEMBL124642 | CHEMBL555571 | N,N-Diethyl-4-[(4-me...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Binding affinity against human opioid receptor delta 1 using [125I]-[D-Ala2]-deltorphin II as radioligand


J Med Chem 43: 3878-94 (2000)


BindingDB Entry DOI: 10.7270/Q2QN661W
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50084248
PNG
(CHEMBL124642 | CHEMBL555571 | N,N-Diethyl-4-[(4-me...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1CCN(C)CC1)c1ccccc1
Show InChI InChI=1S/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
PDB

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PubMed
n/an/an/an/a 211n/an/an/an/a



AstraZeneca R&D Montreal

Curated by ChEMBL


Assay Description
Agonist potency was measured using GTP gamma-[35S] binding assay


J Med Chem 43: 3878-94 (2000)


BindingDB Entry DOI: 10.7270/Q2QN661W
More data for this
Ligand-Target Pair