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Patent code US10081602

Compile Data Set for Download or QSAR
Found 42 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))
BDBM50027366
PNG
(KETAZOCINE | Ketazocine | US10081602, Example Keta...)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(O)ccc1C2=O
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1
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1.30n/an/an/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168148
PNG
(US10081602, Example 20 | US9688638, 20)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O
Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168147
PNG
(US10081602, Example 12 | US9688638, 12)
Show SMILES COCCOCCOCCOCCOCCNc1ccc(Nc2ccc3C(=O)C4[C@H](C)[C@@](C)(CCN4CC4CC4)c3c2)cc1
Show InChI InChI=1S/C35H51N3O6/c1-26-33-34(39)31-11-10-30(24-32(31)35(26,2)12-14-38(33)25-27-4-5-27)37-29-8-6-28(7-9-29)36-13-15-41-18-19-43-22-23-44-21-20-42-17-16-40-3/h6-11,24,26-27,33,36-37H,4-5,12-23,25H2,1-3H3/t26-,33?,35+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168148
PNG
(US10081602, Example 20 | US9688638, 20)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O
Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168147
PNG
(US10081602, Example 12 | US9688638, 12)
Show SMILES COCCOCCOCCOCCOCCNc1ccc(Nc2ccc3C(=O)C4[C@H](C)[C@@](C)(CCN4CC4CC4)c3c2)cc1
Show InChI InChI=1S/C35H51N3O6/c1-26-33-34(39)31-11-10-30(24-32(31)35(26,2)12-14-38(33)25-27-4-5-27)37-29-8-6-28(7-9-29)36-13-15-41-18-19-43-22-23-44-21-20-42-17-16-40-3/h6-11,24,26-27,33,36-37H,4-5,12-23,25H2,1-3H3/t26-,33?,35+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285849
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-8...)
Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C26H39NO5/c1-19-24-25(28)22-8-7-21(32-16-15-31-14-13-30-12-11-29-3)17-23(22)26(19,2)9-4-10-27(24)18-20-5-6-20/h7-8,17,19-20,24H,4-6,9-16,18H2,1-3H3/t19-,24-,26-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168150
PNG
(US10081602, Example 24 | US9688638, 24)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O
Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1
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494n/an/an/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285847
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-6...)
Show SMILES COCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C30H48N2O6/c1-23-28-29(33)26-8-7-25(21-27(26)30(23,2)9-4-11-32(28)22-24-5-6-24)31-10-12-35-15-16-37-19-20-38-18-17-36-14-13-34-3/h7-8,21,23-24,28,31H,4-6,9-20,22H2,1-3H3/t23-,28-,30-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285816
PNG
(Preparation of (2S, 6R, 11R)-3-(Cyclopropylmethyl)...)
Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C26H40N2O4/c1-19-24-25(29)22-8-7-21(27-10-12-31-15-16-32-14-13-30-3)17-23(22)26(19,2)9-4-11-28(24)18-20-5-6-20/h7-8,17,19-20,24,27H,4-6,9-16,18H2,1-3H3/t19-,24-,26-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285848
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-8...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C34H56N2O8/c1-27-32-33(37)30-8-7-29(25-31(30)34(27,2)9-4-11-36(32)26-28-5-6-28)35-10-12-39-15-16-41-19-20-43-23-24-44-22-21-42-18-17-40-14-13-38-3/h7-8,25,27-28,32,35H,4-6,9-24,26H2,1-3H3/t27-,32-,34-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168151
PNG
(US10081602, Example 25 | US9688638, 25)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12
Show InChI InChI=1S/C29H47NO7/c1-22-27-28(37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3)25-7-6-24(31)20-26(25)29(22,2)8-9-30(27)21-23-4-5-23/h6-7,20,22-23,27-28,31H,4-5,8-19,21H2,1-3H3/t22-,27-,28+,29+/m0/s1
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955n/an/an/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168149
PNG
(US10081602, Example 23 | US9688638, 23)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O
Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285851
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-8...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C34H55NO9/c1-27-32-33(36)30-8-7-29(25-31(30)34(27,2)9-4-10-35(32)26-28-5-6-28)44-24-23-43-22-21-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-37-3/h7-8,25,27-28,32H,4-6,9-24,26H2,1-3H3/t27-,32-,34-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168150
PNG
(US10081602, Example 24 | US9688638, 24)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O
Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285850
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-6...)
Show SMILES COCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C30H47NO7/c1-23-28-29(32)26-8-7-25(21-27(26)30(23,2)9-4-10-31(28)22-24-5-6-24)38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-3/h7-8,21,23-24,28H,4-6,9-20,22H2,1-3H3/t23-,28-,30-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168151
PNG
(US10081602, Example 25 | US9688638, 25)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12
Show InChI InChI=1S/C29H47NO7/c1-22-27-28(37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3)25-7-6-24(31)20-26(25)29(22,2)8-9-30(27)21-23-4-5-23/h6-7,20,22-23,27-28,31H,4-5,8-19,21H2,1-3H3/t22-,27-,28+,29+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168149
PNG
(US10081602, Example 23 | US9688638, 23)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O
Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM50027366
PNG
(KETAZOCINE | Ketazocine | US10081602, Example Keta...)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(O)ccc1C2=O
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM50027366
PNG
(KETAZOCINE | Ketazocine | US10081602, Example Keta...)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(O)ccc1C2=O
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285849
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-8...)
Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C26H39NO5/c1-19-24-25(28)22-8-7-21(32-16-15-31-14-13-30-12-11-29-3)17-23(22)26(19,2)9-4-10-27(24)18-20-5-6-20/h7-8,17,19-20,24H,4-6,9-16,18H2,1-3H3/t19-,24-,26-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285847
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-6...)
Show SMILES COCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C30H48N2O6/c1-23-28-29(33)26-8-7-25(21-27(26)30(23,2)9-4-11-32(28)22-24-5-6-24)31-10-12-35-15-16-37-19-20-38-18-17-36-14-13-34-3/h7-8,21,23-24,28,31H,4-6,9-20,22H2,1-3H3/t23-,28-,30-/m0/s1
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n/an/a 2.38E+3n/an/an/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285816
PNG
(Preparation of (2S, 6R, 11R)-3-(Cyclopropylmethyl)...)
Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C26H40N2O4/c1-19-24-25(29)22-8-7-21(27-10-12-31-15-16-32-14-13-30-3)17-23(22)26(19,2)9-4-11-28(24)18-20-5-6-20/h7-8,17,19-20,24,27H,4-6,9-16,18H2,1-3H3/t19-,24-,26-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285848
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-8...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C34H56N2O8/c1-27-32-33(37)30-8-7-29(25-31(30)34(27,2)9-4-11-36(32)26-28-5-6-28)35-10-12-39-15-16-41-19-20-43-23-24-44-22-21-42-18-17-40-14-13-38-3/h7-8,25,27-28,32,35H,4-6,9-24,26H2,1-3H3/t27-,32-,34-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285851
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-8...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C34H55NO9/c1-27-32-33(36)30-8-7-29(25-31(30)34(27,2)9-4-10-35(32)26-28-5-6-28)44-24-23-43-22-21-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-37-3/h7-8,25,27-28,32H,4-6,9-24,26H2,1-3H3/t27-,32-,34-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285850
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-6...)
Show SMILES COCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C30H47NO7/c1-23-28-29(32)26-8-7-25(21-27(26)30(23,2)9-4-10-31(28)22-24-5-6-24)38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-3/h7-8,21,23-24,28H,4-6,9-20,22H2,1-3H3/t23-,28-,30-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
The binding affinities of certain compounds of the present invention were evaluated using radioligand binding assays in membranes prepared from CHO-K...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285851
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-8...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C34H55NO9/c1-27-32-33(36)30-8-7-29(25-31(30)34(27,2)9-4-10-35(32)26-28-5-6-28)44-24-23-43-22-21-42-20-19-41-18-17-40-16-15-39-14-13-38-12-11-37-3/h7-8,25,27-28,32H,4-6,9-24,26H2,1-3H3/t27-,32-,34-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168149
PNG
(US10081602, Example 23 | US9688638, 23)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O
Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168148
PNG
(US10081602, Example 20 | US9688638, 20)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O
Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168147
PNG
(US10081602, Example 12 | US9688638, 12)
Show SMILES COCCOCCOCCOCCOCCNc1ccc(Nc2ccc3C(=O)C4[C@H](C)[C@@](C)(CCN4CC4CC4)c3c2)cc1
Show InChI InChI=1S/C35H51N3O6/c1-26-33-34(39)31-11-10-30(24-32(31)35(26,2)12-14-38(33)25-27-4-5-27)37-29-8-6-28(7-9-29)36-13-15-41-18-19-43-22-23-44-21-20-42-17-16-40-3/h6-11,24,26-27,33,36-37H,4-5,12-23,25H2,1-3H3/t26-,33?,35+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285816
PNG
(Preparation of (2S, 6R, 11R)-3-(Cyclopropylmethyl)...)
Show SMILES COCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C26H40N2O4/c1-19-24-25(29)22-8-7-21(27-10-12-31-15-16-32-14-13-30-3)17-23(22)26(19,2)9-4-11-28(24)18-20-5-6-20/h7-8,17,19-20,24,27H,4-6,9-16,18H2,1-3H3/t19-,24-,26-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285850
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-6...)
Show SMILES COCCOCCOCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C30H47NO7/c1-23-28-29(32)26-8-7-25(21-27(26)30(23,2)9-4-10-31(28)22-24-5-6-24)38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-3/h7-8,21,23-24,28H,4-6,9-20,22H2,1-3H3/t23-,28-,30-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168147
PNG
(US10081602, Example 12 | US9688638, 12)
Show SMILES COCCOCCOCCOCCOCCNc1ccc(Nc2ccc3C(=O)C4[C@H](C)[C@@](C)(CCN4CC4CC4)c3c2)cc1
Show InChI InChI=1S/C35H51N3O6/c1-26-33-34(39)31-11-10-30(24-32(31)35(26,2)12-14-38(33)25-27-4-5-27)37-29-8-6-28(7-9-29)36-13-15-41-18-19-43-22-23-44-21-20-42-17-16-40-3/h6-11,24,26-27,33,36-37H,4-5,12-23,25H2,1-3H3/t26-,33?,35+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168150
PNG
(US10081602, Example 24 | US9688638, 24)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O
Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168151
PNG
(US10081602, Example 25 | US9688638, 25)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12
Show InChI InChI=1S/C29H47NO7/c1-22-27-28(37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3)25-7-6-24(31)20-26(25)29(22,2)8-9-30(27)21-23-4-5-23/h6-7,20,22-23,27-28,31H,4-5,8-19,21H2,1-3H3/t22-,27-,28+,29+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168149
PNG
(US10081602, Example 23 | US9688638, 23)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(C)(C)CO)ccc1C2=O
Show InChI InChI=1S/C22H32N2O2/c1-14-19-20(26)17-8-7-16(23-21(2,3)13-25)11-18(17)22(14,4)9-10-24(19)12-15-5-6-15/h7-8,11,14-15,19,23,25H,5-6,9-10,12-13H2,1-4H3/t14-,19-,22+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM50027366
PNG
(KETAZOCINE | Ketazocine | US10081602, Example Keta...)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(O)ccc1C2=O
Show InChI InChI=1S/C18H23NO2/c1-11-16-17(21)14-6-5-13(20)9-15(14)18(11,2)7-8-19(16)10-12-3-4-12/h5-6,9,11-12,16,20H,3-4,7-8,10H2,1-2H3/t11-,16-,18+/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285849
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-8...)
Show SMILES COCCOCCOCCOc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C26H39NO5/c1-19-24-25(28)22-8-7-21(32-16-15-31-14-13-30-12-11-29-3)17-23(22)26(19,2)9-4-10-27(24)18-20-5-6-20/h7-8,17,19-20,24H,4-6,9-16,18H2,1-3H3/t19-,24-,26-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285847
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-6...)
Show SMILES COCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C30H48N2O6/c1-23-28-29(33)26-8-7-25(21-27(26)30(23,2)9-4-11-32(28)22-24-5-6-24)31-10-12-35-15-16-37-19-20-38-18-17-36-14-13-34-3/h7-8,21,23-24,28,31H,4-6,9-20,22H2,1-3H3/t23-,28-,30-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM285848
PNG
(Preparation of (2S,6R,11R)-3-(Cyclopropylmethyl)-8...)
Show SMILES COCCOCCOCCOCCOCCOCCOCCNc1ccc2C(=O)[C@@H]3[C@H](C)[C@](C)(CCCN3CC3CC3)c2c1
Show InChI InChI=1S/C34H56N2O8/c1-27-32-33(37)30-8-7-29(25-31(30)34(27,2)9-4-11-36(32)26-28-5-6-28)35-10-12-39-15-16-41-19-20-43-23-24-44-22-21-42-18-17-40-14-13-38-3/h7-8,25,27-28,32,35H,4-6,9-24,26H2,1-3H3/t27-,32-,34-/m0/s1
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Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168148
PNG
(US10081602, Example 20 | US9688638, 20)
Show SMILES C[C@H]1C2N(CC3CC3)CC[C@@]1(C)c1cc(Nc3ccc(NCCOCCOCCOCCOCCOC(F)(F)F)cc3)ccc1C2=O
Show InChI InChI=1S/C35H48F3N3O6/c1-25-32-33(42)30-10-9-29(23-31(30)34(25,2)11-13-41(32)24-26-3-4-26)40-28-7-5-27(6-8-28)39-12-14-43-15-16-44-17-18-45-19-20-46-21-22-47-35(36,37)38/h5-10,23,25-26,32,39-40H,3-4,11-22,24H2,1-2H3/t25-,32?,34+/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
n/an/an/an/a 128n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168151
PNG
(US10081602, Example 25 | US9688638, 25)
Show SMILES COCCOCCOCCOCCOCCO[C@H]1[C@@H]2[C@H](C)[C@@](C)(CCN2CC2CC2)c2cc(O)ccc12
Show InChI InChI=1S/C29H47NO7/c1-22-27-28(37-19-18-36-17-16-35-15-14-34-13-12-33-11-10-32-3)25-7-6-24(31)20-26(25)29(22,2)8-9-30(27)21-23-4-5-23/h6-7,20,22-23,27-28,31H,4-5,8-19,21H2,1-3H3/t22-,27-,28+,29+/m0/s1
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n/an/an/an/a 1.21E+3n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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


(Homo sapiens (human))
BDBM168150
PNG
(US10081602, Example 24 | US9688638, 24)
Show SMILES C[C@H]1[C@@H]2N(CC3CC3)CC[C@@]1(C)c1cc(NC(CO)CO)ccc1C2=O
Show InChI InChI=1S/C21H30N2O3/c1-13-19-20(26)17-6-5-15(22-16(11-24)12-25)9-18(17)21(13,2)7-8-23(19)10-14-3-4-14/h5-6,9,13-14,16,19,22,24-25H,3-4,7-8,10-12H2,1-2H3/t13-,19-,21+/m0/s1
PDB

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n/an/an/an/a 107n/an/an/an/a



Nektar Therapeutics

US Patent


Assay Description
Inhibition of cAMP accumulation by select compounds was measured in forskolin-stimulated CHO-K1 cells stably expressing KOR. CHO-K1 cells stably expr...


US Patent US10081602 (2018)

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