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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 = 'BDBM50140905'   
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))
BDBM50140905
PNG
(19-methyl-6-phenyl-(2R,10R)-11-oxa-8,19-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccccc1)ccc5O |TLB:26:9:12:1.3.2|
Show InChI InChI=1S/C26H24N2O2/c1-28-10-9-26-19-12-17-11-18(15-5-3-2-4-6-15)14-27-23(17)25(26)30-24-21(29)8-7-16(22(24)26)13-20(19)28/h2-8,11,14,19-20,25,29H,9-10,12-13H2,1H3/t19-,20?,25-,26-/m0/s1
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Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Binding affinity at opioid receptor delta 1 by displacement of [3H]DADLE in rat brain membrane


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50140905
PNG
(19-methyl-6-phenyl-(2R,10R)-11-oxa-8,19-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccccc1)ccc5O |TLB:26:9:12:1.3.2|
Show InChI InChI=1S/C26H24N2O2/c1-28-10-9-26-19-12-17-11-18(15-5-3-2-4-6-15)14-27-23(17)25(26)30-24-21(29)8-7-16(22(24)26)13-20(19)28/h2-8,11,14,19-20,25,29H,9-10,12-13H2,1H3/t19-,20?,25-,26-/m0/s1
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Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Apparent antagonist activity determined by measuring the ability to inhibit stimulation of [35S]GTP-gamma-S, binding to opioid receptor delta 1 in gu...


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50140905
PNG
(19-methyl-6-phenyl-(2R,10R)-11-oxa-8,19-diazahexac...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@H]3Cc1cc(cnc41)-c1ccccc1)ccc5O |TLB:26:9:12:1.3.2|
Show InChI InChI=1S/C26H24N2O2/c1-28-10-9-26-19-12-17-11-18(15-5-3-2-4-6-15)14-27-23(17)25(26)30-24-21(29)8-7-16(22(24)26)13-20(19)28/h2-8,11,14,19-20,25,29H,9-10,12-13H2,1H3/t19-,20?,25-,26-/m0/s1
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Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Southern Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration required for 50 percent inhibition of opioid receptor delta 1 induced contractions in mouse vas deferens (MVD) smooth muscle...


J Med Chem 47: 1400-12 (2004)


Article DOI: 10.1021/jm030311v
BindingDB Entry DOI: 10.7270/Q2639QGW
More data for this
Ligand-Target Pair