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Patent code US10435406

Compile Data Set for Download or QSAR
Found 8 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM414828
PNG
((6R,6aS,7aS,10aS,11aR)-14- (cyclopropylmethyl)-2,6...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H]5NC(=O)C[C@@H]5C[C@@]34O)c2c1
Show InChI InChI=1S/C22H28N2O3/c25-16-4-3-14-7-19-22(27)10-15-8-20(26)23-18(15)11-21(22,17(14)9-16)5-6-24(19)12-13-1-2-13/h3-4,9,13,15,18-19,25,27H,1-2,5-8,10-12H2,(H,23,26)/t15-,18+,19-,21-,22-/m1/s1
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0.160n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinantHEK-293 cells, CHO or U-2 OS cells expressing the recombinant human κ opioid receptor (κ) were prepared by lysing...


US Patent US10435406 (2019)


BindingDB Entry DOI: 10.7270/Q2RB770F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM414829
PNG
((6R,6aS,7aS,10aS,11aR)-14- (cyclopropylmethyl)-10-...)
Show SMILES CCN1[C@H]2C[C@]34CCN(CC5CC5)[C@H](Cc5ccc(O)cc35)[C@]4(O)C[C@H]2CC1=O
Show InChI InChI=1S/C24H32N2O3/c1-2-26-20-13-23-7-8-25(14-15-3-4-15)21(9-16-5-6-18(27)11-19(16)23)24(23,29)12-17(20)10-22(26)28/h5-6,11,15,17,20-21,27,29H,2-4,7-10,12-14H2,1H3/t17-,20+,21-,23-,24-/m1/s1
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0.310n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinantHEK-293 cells, CHO or U-2 OS cells expressing the recombinant human κ opioid receptor (κ) were prepared by lysing...


US Patent US10435406 (2019)


BindingDB Entry DOI: 10.7270/Q2RB770F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM414828
PNG
((6R,6aS,7aS,10aS,11aR)-14- (cyclopropylmethyl)-2,6...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H]5NC(=O)C[C@@H]5C[C@@]34O)c2c1
Show InChI InChI=1S/C22H28N2O3/c25-16-4-3-14-7-19-22(27)10-15-8-20(26)23-18(15)11-21(22,17(14)9-16)5-6-24(19)12-13-1-2-13/h3-4,9,13,15,18-19,25,27H,1-2,5-8,10-12H2,(H,23,26)/t15-,18+,19-,21-,22-/m1/s1
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0.800n/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...


US Patent US10435406 (2019)


BindingDB Entry DOI: 10.7270/Q2RB770F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM414827
PNG
((6R,6aS,11aR)-14-(cyclopropyl-methyl)- 2,6a-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5NC(=O)C=C5C[C@@]34O)c2c1
Show InChI InChI=1S/C22H26N2O3/c25-16-4-3-14-7-19-22(27)10-15-8-20(26)23-18(15)11-21(22,17(14)9-16)5-6-24(19)12-13-1-2-13/h3-4,8-9,13,18-19,25,27H,1-2,5-7,10-12H2,(H,23,26)/t18?,19-,21-,22-/m1/s1
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2.16n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinantHEK-293 cells, CHO or U-2 OS cells expressing the recombinant human κ opioid receptor (κ) were prepared by lysing...


US Patent US10435406 (2019)


BindingDB Entry DOI: 10.7270/Q2RB770F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM414827
PNG
((6R,6aS,11aR)-14-(cyclopropyl-methyl)- 2,6a-dihydr...)
Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5NC(=O)C=C5C[C@@]34O)c2c1
Show InChI InChI=1S/C22H26N2O3/c25-16-4-3-14-7-19-22(27)10-15-8-20(26)23-18(15)11-21(22,17(14)9-16)5-6-24(19)12-13-1-2-13/h3-4,8-9,13,18-19,25,27H,1-2,5-7,10-12H2,(H,23,26)/t18?,19-,21-,22-/m1/s1
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2.34n/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...


US Patent US10435406 (2019)


BindingDB Entry DOI: 10.7270/Q2RB770F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM414826
PNG
((6R,6aS,7aS,10aS,11aR)-2,6a-dihydroxy- 14-phenethy...)
Show SMILES Oc1ccc2C[C@H]3N(CCc4ccccc4)CC[C@@]4(C[C@@H]5NC(=O)C[C@@H]5C[C@@]34O)c2c1
Show InChI InChI=1S/C26H30N2O3/c29-20-7-6-18-12-23-26(31)15-19-13-24(30)27-22(19)16-25(26,21(18)14-20)9-11-28(23)10-8-17-4-2-1-3-5-17/h1-7,14,19,22-23,29,31H,8-13,15-16H2,(H,27,30)/t19-,22+,23-,25-,26-/m1/s1
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4.03n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinantHEK-293 cells, CHO or U-2 OS cells expressing the recombinant human κ opioid receptor (κ) were prepared by lysing...


US Patent US10435406 (2019)


BindingDB Entry DOI: 10.7270/Q2RB770F
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM414825
PNG
((6R,6aS,7aS,10aS,11aR)-14- (cyclopropylmethyl)-6a-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H]5NC(=O)C[C@@H]5C[C@@]34O)c2c1
Show InChI InChI=1S/C23H30N2O3/c1-28-17-5-4-15-8-20-23(27)11-16-9-21(26)24-19(16)12-22(23,18(15)10-17)6-7-25(20)13-14-2-3-14/h4-5,10,14,16,19-20,27H,2-3,6-9,11-13H2,1H3,(H,24,26)/t16-,19+,20-,22-,23-/m1/s1
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12.4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
Membranes from recombinantHEK-293 cells, CHO or U-2 OS cells expressing the recombinant human κ opioid receptor (κ) were prepared by lysing...


US Patent US10435406 (2019)


BindingDB Entry DOI: 10.7270/Q2RB770F
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM414825
PNG
((6R,6aS,7aS,10aS,11aR)-14- (cyclopropylmethyl)-6a-...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(C[C@@H]5NC(=O)C[C@@H]5C[C@@]34O)c2c1
Show InChI InChI=1S/C23H30N2O3/c1-28-17-5-4-15-8-20-23(27)11-16-9-21(26)24-19(16)12-22(23,18(15)10-17)6-7-25(20)13-14-2-3-14/h4-5,10,14,16,19-20,27H,2-3,6-9,11-13H2,1H3,(H,24,26)/t16-,19+,20-,22-,23-/m1/s1
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533n/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...


US Patent US10435406 (2019)


BindingDB Entry DOI: 10.7270/Q2RB770F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%