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PubMed code 10612602

Compile data set for download or QSAR
Found 29 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083672
PNG
(18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)
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1.70n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083671
PNG
(19-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H19N3O4/c1-22-5-4-18-13-9-2-3-11(23)15(13)26-16(18)14-10(8-20-17(24)21-14)7-19(18,25)12(22)6-9/h2-3,8,12,16,23,25H,4-7H2,1H3,(H,20,21,24)
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3.80n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083668
PNG
(7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3
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5.30n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083670
PNG
(19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3
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6.5n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083669
PNG
(7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)
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7.30n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083670
PNG
(19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3
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7.30n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50083672
PNG
(18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)
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12n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083672
PNG
(18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)
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12n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50083671
PNG
(19-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H19N3O4/c1-22-5-4-18-13-9-2-3-11(23)15(13)26-16(18)14-10(8-20-17(24)21-14)7-19(18,25)12(22)6-9/h2-3,8,12,16,23,25H,4-7H2,1H3,(H,20,21,24)
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12n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083669
PNG
(7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)
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19n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083671
PNG
(19-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H19N3O4/c1-22-5-4-18-13-9-2-3-11(23)15(13)26-16(18)14-10(8-20-17(24)21-14)7-19(18,25)12(22)6-9/h2-3,8,12,16,23,25H,4-7H2,1H3,(H,20,21,24)
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19n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50083669
PNG
(7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)
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21n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083668
PNG
(7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3
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24n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50083670
PNG
(19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3
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45n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50083668
PNG
(7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3
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69n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083672
PNG
(18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)
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n/an/an/an/a 25n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083671
PNG
(19-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H19N3O4/c1-22-5-4-18-13-9-2-3-11(23)15(13)26-16(18)14-10(8-20-17(24)21-14)7-19(18,25)12(22)6-9/h2-3,8,12,16,23,25H,4-7H2,1H3,(H,20,21,24)
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n/an/an/an/a 110n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50083671
PNG
(19-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H19N3O4/c1-22-5-4-18-13-9-2-3-11(23)15(13)26-16(18)14-10(8-20-17(24)21-14)7-19(18,25)12(22)6-9/h2-3,8,12,16,23,25H,4-7H2,1H3,(H,20,21,24)
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n/an/an/an/a 1.02E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083669
PNG
(7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)
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n/an/an/an/a 75n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083668
PNG
(7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3
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n/an/an/an/a 72n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083672
PNG
(18-methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cn[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C18H19N3O3/c1-21-5-4-17-13-9-2-3-11(22)15(13)24-16(17)14-10(8-19-20-14)7-18(17,23)12(21)6-9/h2-3,8,12,16,22-23H,4-7H2,1H3,(H,19,20)
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n/an/an/an/a 19n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083670
PNG
(19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3
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n/an/an/an/a 24n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50083668
PNG
(7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3
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n/an/an/an/a 2.73E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50083669
PNG
(7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)
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n/an/an/an/a 1.08E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand.


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083671
PNG
(19-methyl-11-oxa-6,8,19-triazahexacyclo[10.9.1.01,...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(=O)[nH]c41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H19N3O4/c1-22-5-4-18-13-9-2-3-11(23)15(13)26-16(18)14-10(8-20-17(24)21-14)7-19(18,25)12(22)6-9/h2-3,8,12,16,23,25H,4-7H2,1H3,(H,20,21,24)
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n/an/an/an/a 61n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50083670
PNG
(19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3
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n/an/an/an/a 1.42E+3n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Kappa receptor transfected into Chinese hamster ovary (CHO) cells using [3H]U69,593 as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50083670
PNG
(19-methyl-7-phenyl-11-oxa-6,8,19-triazahexacyclo[1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(nc41)-c1ccccc1)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C25H23N3O3/c1-28-10-9-24-19-15-7-8-17(29)21(19)31-22(24)20-16(12-25(24,30)18(28)11-15)13-26-23(27-20)14-5-3-2-4-6-14/h2-8,13,18,22,29-30H,9-12H2,1H3
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n/an/an/an/a 58n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083668
PNG
(7,19-dimethyl-11-oxa-6,8,19-triazahexacyclo[10.9.1...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(C)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C20H21N3O3/c1-10-21-9-12-8-20(25)14-7-11-3-4-13(24)17-15(11)19(20,5-6-23(14)2)18(26-17)16(12)22-10/h3-4,9,14,18,24-25H,5-8H2,1-2H3
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n/an/an/an/a 96n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonistic activity against human opioid Mu receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-DAMGO as radioligand


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50083669
PNG
(7-amino-19-methyl-11-oxa-6,8,19-triazahexacyclo[10...)
Show SMILES CN1CCC23C4Oc5c2c(CC1C3(O)Cc1cnc(N)nc41)ccc5O |TLB:13:12:8.9.10:1.3.2,THB:7:8:12:1.3.2,0:1:12:8.9.10|
Show InChI InChI=1S/C19H20N4O3/c1-23-5-4-18-13-9-2-3-11(24)15(13)26-16(18)14-10(8-21-17(20)22-14)7-19(18,25)12(23)6-9/h2-3,8,12,16,24-25H,4-7H2,1H3,(H2,20,21,22)
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n/an/an/an/a 66n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Binding affinity towards human opioid Delta receptor transfected into Chinese hamster ovary (CHO) cells using [3H]-Cl-DPDPE as radioligand.


Bioorg Med Chem Lett 9: 3375-80 (2000)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%