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PubMed code 3039139

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50226933
PNG
(Naltrexonazine)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC\C2=N/N=C1\CC[C@@]2(O)[C@@]4([H])Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |r,TLB:45:44:32.49.31:27,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26+/t29-,30-,35+,36+,37+,38+,39-,40-/m1/s1
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PC cid
PC sid
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PubMed
n/an/a 0.450n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMPGO binding was determined using standard binding assay in rat brain homogenates against opioid receptor


J Med Chem 30: 1489-94 (1987)


BindingDB Entry DOI: 10.7270/Q2S46V6F
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50226933
PNG
(Naltrexonazine)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC\C2=N/N=C1\CC[C@@]2(O)[C@@]4([H])Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |r,TLB:45:44:32.49.31:27,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26+/t29-,30-,35+,36+,37+,38+,39-,40-/m1/s1
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PubMed
n/an/a 0.450n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMPGO binding was determined using standard binding assay in rat brain homogenates against opioid receptor


J Med Chem 30: 1489-94 (1987)


BindingDB Entry DOI: 10.7270/Q2S46V6F
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50226933
PNG
(Naltrexonazine)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC\C2=N/N=C1\CC[C@@]2(O)[C@@]4([H])Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |r,TLB:45:44:32.49.31:27,THB:10:9:17:6.5.4|
Show InChI InChI=1S/C40H46N4O6/c45-27-7-5-23-17-29-39(47)11-9-25(35-37(39,31(23)33(27)49-35)13-15-43(29)19-21-1-2-21)41-42-26-10-12-40(48)30-18-24-6-8-28(46)34-32(24)38(40,36(26)50-34)14-16-44(30)20-22-3-4-22/h5-8,21-22,29-30,35-36,45-48H,1-4,9-20H2/b41-25+,42-26+/t29-,30-,35+,36+,37+,38+,39-,40-/m1/s1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 0.470n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]DAMPGO binding was determined using standard binding assay in rat brain homogenates against opioid receptor


J Med Chem 30: 1489-94 (1987)


BindingDB Entry DOI: 10.7270/Q2S46V6F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%