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Patent code US9340542

Compile Data Set for Download or QSAR
Found 20 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
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM228518
PNG
(US9340542, 8)
Show SMILES Oc1ccc2C[C@]34CC[C@@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show InChI InChI=1S/C22H27N3O3/c26-16-4-3-15-10-20-5-6-22(18(27)23-19(28)24-22)12-21(20,17(15)9-16)7-8-25(13-20)11-14-1-2-14/h3-4,9,14,26H,1-2,5-8,10-13H2,(H2,23,24,27,28)/t20-,21+,22-/m0/s1
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72.5n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...


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


(Homo sapiens (human))
BDBM228515
PNG
(US9340542, 7)
Show SMILES NC(=O)c1cc2C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)Cc2[nH]c1=O
Show InChI InChI=1S/C24H27N3O3/c25-21(29)18-7-16-10-23-9-15-3-4-17(28)8-19(15)24(23,11-20(16)26-22(18)30)5-6-27(13-23)12-14-1-2-14/h3-4,7-8,14,28H,1-2,5-6,9-13H2,(H2,25,29)(H,26,30)/t23-,24-/m1/s1
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148n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...


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


(Homo sapiens (human))
BDBM228520
PNG
(US9340542, 9)
Show SMILES Oc1ccc2C[C@]34CC[C@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show InChI InChI=1S/C22H27N3O3/c26-16-4-3-15-10-20-5-6-22(18(27)23-19(28)24-22)12-21(20,17(15)9-16)7-8-25(13-20)11-14-1-2-14/h3-4,9,14,26H,1-2,5-8,10-13H2,(H2,23,24,27,28)/t20-,21+,22+/m0/s1
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148n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...


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


(Homo sapiens (human))
BDBM228518
PNG
(US9340542, 8)
Show SMILES Oc1ccc2C[C@]34CC[C@@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show InChI InChI=1S/C22H27N3O3/c26-16-4-3-15-10-20-5-6-22(18(27)23-19(28)24-22)12-21(20,17(15)9-16)7-8-25(13-20)11-14-1-2-14/h3-4,9,14,26H,1-2,5-8,10-13H2,(H2,23,24,27,28)/t20-,21+,22-/m0/s1
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473n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg mem...


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


(Homo sapiens (human))
BDBM228520
PNG
(US9340542, 9)
Show SMILES Oc1ccc2C[C@]34CC[C@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show InChI InChI=1S/C22H27N3O3/c26-16-4-3-15-10-20-5-6-22(18(27)23-19(28)24-22)12-21(20,17(15)9-16)7-8-25(13-20)11-14-1-2-14/h3-4,9,14,26H,1-2,5-8,10-13H2,(H2,23,24,27,28)/t20-,21+,22+/m0/s1
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676n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg mem...


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


(Homo sapiens (human))
BDBM228515
PNG
(US9340542, 7)
Show SMILES NC(=O)c1cc2C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)Cc2[nH]c1=O
Show InChI InChI=1S/C24H27N3O3/c25-21(29)18-7-16-10-23-9-15-3-4-17(28)8-19(15)24(23,11-20(16)26-22(18)30)5-6-27(13-23)12-14-1-2-14/h3-4,7-8,14,28H,1-2,5-6,9-13H2,(H2,25,29)(H,26,30)/t23-,24-/m1/s1
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770n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg mem...


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


(Homo sapiens (human))
BDBM228514
PNG
(US9340542, 5)
Show SMILES COC(=O)c1cc2C[C@@]34Cc5ccc(OC)cc5[C@@]3(CCN(CC3CC3)C4)Cc2[nH]c1=O
Show InChI InChI=1S/C26H30N2O4/c1-31-19-6-5-17-11-25-12-18-9-20(24(30)32-2)23(29)27-22(18)13-26(25,21(17)10-19)7-8-28(15-25)14-16-3-4-16/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H,27,29)/t25-,26-/m1/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...


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


(Homo sapiens (human))
BDBM228517
PNG
(US9340542, 6)
Show SMILES COc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c(=O)c(cc3C4)C(N)=O)c2c1
Show InChI InChI=1S/C25H29N3O3/c1-31-18-5-4-16-10-24-11-17-8-19(22(26)29)23(30)27-21(17)12-25(24,20(16)9-18)6-7-28(14-24)13-15-2-3-15/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H2,26,29)(H,27,30)/t24-,25-/m1/s1
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4.29E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...


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


(Homo sapiens (human))
BDBM228516
PNG
(US9340542, 2)
Show SMILES COc1ccc2C[C@]34CC[C@@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show InChI InChI=1S/C23H29N3O3/c1-29-17-5-4-16-11-21-6-7-23(19(27)24-20(28)25-23)13-22(21,18(16)10-17)8-9-26(14-21)12-15-2-3-15/h4-5,10,15H,2-3,6-9,11-14H2,1H3,(H2,24,25,27,28)/t21-,22+,23-/m0/s1
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4.76E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...


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


(Homo sapiens (human))
BDBM228516
PNG
(US9340542, 2)
Show SMILES COc1ccc2C[C@]34CC[C@@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show InChI InChI=1S/C23H29N3O3/c1-29-17-5-4-16-11-21-6-7-23(19(27)24-20(28)25-23)13-22(21,18(16)10-17)8-9-26(14-21)12-15-2-3-15/h4-5,10,15H,2-3,6-9,11-14H2,1H3,(H2,24,25,27,28)/t21-,22+,23-/m0/s1
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6.25E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg mem...


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


(Homo sapiens (human))
BDBM228519
PNG
(US9340542, 3)
Show SMILES COc1ccc2C[C@]34CC[C@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show InChI InChI=1S/C23H29N3O3/c1-29-17-5-4-16-11-21-6-7-23(19(27)24-20(28)25-23)13-22(21,18(16)10-17)8-9-26(14-21)12-15-2-3-15/h4-5,10,15H,2-3,6-9,11-14H2,1H3,(H2,24,25,27,28)/t21-,22+,23+/m0/s1
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8.41E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...


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


(Homo sapiens (human))
BDBM228514
PNG
(US9340542, 5)
Show SMILES COC(=O)c1cc2C[C@@]34Cc5ccc(OC)cc5[C@@]3(CCN(CC3CC3)C4)Cc2[nH]c1=O
Show InChI InChI=1S/C26H30N2O4/c1-31-19-6-5-17-11-25-12-18-9-20(24(30)32-2)23(29)27-22(18)13-26(25,21(17)10-19)7-8-28(15-25)14-16-3-4-16/h5-6,9-10,16H,3-4,7-8,11-15H2,1-2H3,(H,27,29)/t25-,26-/m1/s1
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9.55E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg mem...


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


(Homo sapiens (human))
BDBM228517
PNG
(US9340542, 6)
Show SMILES COc1ccc2C[C@@]34CN(CC5CC5)CC[C@@]3(Cc3[nH]c(=O)c(cc3C4)C(N)=O)c2c1
Show InChI InChI=1S/C25H29N3O3/c1-31-18-5-4-16-10-24-11-17-8-19(22(26)29)23(30)27-21(17)12-25(24,20(16)9-18)6-7-28(14-24)13-15-2-3-15/h4-5,8-9,15H,2-3,6-7,10-14H2,1H3,(H2,26,29)(H,27,30)/t24-,25-/m1/s1
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1.56E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg mem...


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


(Homo sapiens (human))
BDBM228519
PNG
(US9340542, 3)
Show SMILES COc1ccc2C[C@]34CC[C@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show InChI InChI=1S/C23H29N3O3/c1-29-17-5-4-16-11-21-6-7-23(19(27)24-20(28)25-23)13-22(21,18(16)10-17)8-9-26(14-21)12-15-2-3-15/h4-5,10,15H,2-3,6-9,11-14H2,1H3,(H2,24,25,27,28)/t21-,22+,23+/m0/s1
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>2.00E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand dose-displacement binding assays for μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg mem...


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


(Homo sapiens (human))
BDBM228515
PNG
(US9340542, 7)
Show SMILES NC(=O)c1cc2C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)Cc2[nH]c1=O
Show InChI InChI=1S/C24H27N3O3/c25-21(29)18-7-16-10-23-9-15-3-4-17(28)8-19(15)24(23,11-20(16)26-22(18)30)5-6-27(13-23)12-14-1-2-14/h3-4,7-8,14,28H,1-2,5-6,9-13H2,(H2,25,29)(H,26,30)/t23-,24-/m1/s1
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n/an/an/an/a 413n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
[35S]GTPγS functional assays were conducted using freshly thawed p-receptor membranes prepared in-house from a cell line expressing recombinant ...


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


(Homo sapiens (human))
BDBM228518
PNG
(US9340542, 8)
Show SMILES Oc1ccc2C[C@]34CC[C@@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show InChI InChI=1S/C22H27N3O3/c26-16-4-3-15-10-20-5-6-22(18(27)23-19(28)24-22)12-21(20,17(15)9-16)7-8-25(13-20)11-14-1-2-14/h3-4,9,14,26H,1-2,5-8,10-13H2,(H2,23,24,27,28)/t20-,21+,22-/m0/s1
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n/an/an/an/a 384n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Functional [35S]GTPγS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding fin...


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


(Homo sapiens (human))
BDBM228520
PNG
(US9340542, 9)
Show SMILES Oc1ccc2C[C@]34CC[C@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show InChI InChI=1S/C22H27N3O3/c26-16-4-3-15-10-20-5-6-22(18(27)23-19(28)24-22)12-21(20,17(15)9-16)7-8-25(13-20)11-14-1-2-14/h3-4,9,14,26H,1-2,5-8,10-13H2,(H2,23,24,27,28)/t20-,21+,22+/m0/s1
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n/an/an/an/a 309n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
[35S]GTPγS functional assays were conducted using freshly thawed p-receptor membranes prepared in-house from a cell line expressing recombinant ...


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


(Homo sapiens (human))
BDBM228518
PNG
(US9340542, 8)
Show SMILES Oc1ccc2C[C@]34CC[C@@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show InChI InChI=1S/C22H27N3O3/c26-16-4-3-15-10-20-5-6-22(18(27)23-19(28)24-22)12-21(20,17(15)9-16)7-8-25(13-20)11-14-1-2-14/h3-4,9,14,26H,1-2,5-8,10-13H2,(H2,23,24,27,28)/t20-,21+,22-/m0/s1
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n/an/an/an/a 414n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
[35S]GTPγS functional assays were conducted using freshly thawed p-receptor membranes prepared in-house from a cell line expressing recombinant ...


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


(Homo sapiens (human))
BDBM228520
PNG
(US9340542, 9)
Show SMILES Oc1ccc2C[C@]34CC[C@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
Show InChI InChI=1S/C22H27N3O3/c26-16-4-3-15-10-20-5-6-22(18(27)23-19(28)24-22)12-21(20,17(15)9-16)7-8-25(13-20)11-14-1-2-14/h3-4,9,14,26H,1-2,5-8,10-13H2,(H2,23,24,27,28)/t20-,21+,22+/m0/s1
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n/an/an/an/a 319n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Functional [35S]GTPγS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding fin...


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


(Homo sapiens (human))
BDBM228515
PNG
(US9340542, 7)
Show SMILES NC(=O)c1cc2C[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)Cc2[nH]c1=O
Show InChI InChI=1S/C24H27N3O3/c25-21(29)18-7-16-10-23-9-15-3-4-17(28)8-19(15)24(23,11-20(16)26-22(18)30)5-6-27(13-23)12-14-1-2-14/h3-4,7-8,14,28H,1-2,5-6,9-13H2,(H2,25,29)(H,26,30)/t23-,24-/m1/s1
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n/an/an/an/a 570n/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Functional [35S]GTPγS binding assays were conducted as follows. κ opioid receptor membrane solution was prepared by sequentially adding fin...


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