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PubMed code 17826993

Compile data set for download or QSAR
Found 17 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


(Homo sapiens (Human))
BDBM50221416
PNG
(22-methyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r|
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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0.900n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from delta opioid receptor


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50221413
PNG
((1S,2S,13R,21R)-7-fluoro-22-methyl-14-oxa-11,22-di...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O
Show InChI InChI=1S/C23H21FN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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2.30n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from delta opioid receptor


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50221417
PNG
((1S,2S,13R,21R)-7-iodo-22-methyl-14-oxa-11,22-diaz...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(I)cc12)ccc5O
Show InChI InChI=1S/C23H21IN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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3.80n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from delta opioid receptor


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50221414
PNG
((1S,2S,13R,21R)-7-chloro-22-methyl-14-oxa-11,22-di...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(Cl)cc12)ccc5O
Show InChI InChI=1S/C23H21ClN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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5.10n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from delta opioid receptor


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50221415
PNG
((1S,2S,13R,21R)-7-bromo-22-methyl-14-oxa-11,22-dia...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(Br)cc12)ccc5O
Show InChI InChI=1S/C23H21BrN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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8.60n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]p-Cl-DPDPE from delta opioid receptor


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50221413
PNG
((1S,2S,13R,21R)-7-fluoro-22-methyl-14-oxa-11,22-di...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O
Show InChI InChI=1S/C23H21FN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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21n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50221414
PNG
((1S,2S,13R,21R)-7-chloro-22-methyl-14-oxa-11,22-di...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(Cl)cc12)ccc5O
Show InChI InChI=1S/C23H21ClN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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47n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50221417
PNG
((1S,2S,13R,21R)-7-iodo-22-methyl-14-oxa-11,22-diaz...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(I)cc12)ccc5O
Show InChI InChI=1S/C23H21IN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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66n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50221415
PNG
((1S,2S,13R,21R)-7-bromo-22-methyl-14-oxa-11,22-dia...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(Br)cc12)ccc5O
Show InChI InChI=1S/C23H21BrN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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71n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50221416
PNG
(22-methyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r|
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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105n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50221417
PNG
((1S,2S,13R,21R)-7-iodo-22-methyl-14-oxa-11,22-diaz...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(I)cc12)ccc5O
Show InChI InChI=1S/C23H21IN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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160n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50221415
PNG
((1S,2S,13R,21R)-7-bromo-22-methyl-14-oxa-11,22-dia...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(Br)cc12)ccc5O
Show InChI InChI=1S/C23H21BrN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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250n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50221413
PNG
((1S,2S,13R,21R)-7-fluoro-22-methyl-14-oxa-11,22-di...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O
Show InChI InChI=1S/C23H21FN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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310n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50221414
PNG
((1S,2S,13R,21R)-7-chloro-22-methyl-14-oxa-11,22-di...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(Cl)cc12)ccc5O
Show InChI InChI=1S/C23H21ClN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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360n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50221416
PNG
(22-methyl-(2S,13R)-14-oxa-11,22-diazaheptacyclo[13...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccccc12)ccc5O |r|
Show InChI InChI=1S/C23H22N2O3/c1-25-9-8-22-18-12-6-7-16(26)20(18)28-21(22)19-14(11-23(22,27)17(25)10-12)13-4-2-3-5-15(13)24-19/h2-7,17,21,24,26-27H,8-11H2,1H3/t17-,21+,22+,23-/m1/s1
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515n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Displacement of [3H]U-69593 from cloned kappa opioid receptor


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50221413
PNG
((1S,2S,13R,21R)-7-fluoro-22-methyl-14-oxa-11,22-di...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O
Show InChI InChI=1S/C23H21FN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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n/an/an/an/a 16n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Activity at delta opioid receptor assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50221413
PNG
((1S,2S,13R,21R)-7-fluoro-22-methyl-14-oxa-11,22-di...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)Cc1c4[nH]c2ccc(F)cc12)ccc5O
Show InChI InChI=1S/C23H21FN2O3/c1-26-7-6-22-18-11-2-5-16(27)20(18)29-21(22)19-14(10-23(22,28)17(26)8-11)13-9-12(24)3-4-15(13)25-19/h2-5,9,17,21,25,27-28H,6-8,10H2,1H3/t17-,21+,22+,23-/m1/s1
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n/an/an/an/a 1.08E+3n/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Activity at mu opioid receptor assessed as stimulation of [35S]GTPgammaS binding


Bioorg Med Chem Lett 17: 5916-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.098
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%