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Patent code US9902726

Compile Data Set for Download or QSAR
Found 5 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
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM373528
PNG
(US9902726, Compound 5)
Show SMILES CS(=O)(=O)c1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O
Show InChI InChI=1S/C24H28N2O5S/c1-32(30,31)20-8-16-11-24(29)21-9-15-4-5-17(27)10-18(15)23(24,12-19(16)25-22(20)28)6-7-26(21)13-14-2-3-14/h4-5,8,10,14,21,27,29H,2-3,6-7,9,11-13H2,1H3,(H,25,28)/t21-,23-,24-/m1/s1
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PC cid
PC sid
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US Patent
360n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9902726 (2018)

More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM373528
PNG
(US9902726, Compound 5)
Show SMILES CS(=O)(=O)c1cc2C[C@@]3(O)[C@H]4Cc5ccc(O)cc5[C@@]3(CCN4CC3CC3)Cc2[nH]c1=O
Show InChI InChI=1S/C24H28N2O5S/c1-32(30,31)20-8-16-11-24(29)21-9-15-4-5-17(27)10-18(15)23(24,12-19(16)25-22(20)28)6-7-26(21)13-14-2-3-14/h4-5,8,10,14,21,27,29H,2-3,6-7,9,11-13H2,1H3,(H,25,28)/t21-,23-,24-/m1/s1
PDB

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760n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


Assay Description
μ-opioid receptors used 0.3 nM [3H]-diprenorphine (Perkin Elmer, Shelton, Conn.), with 5 mg membrane protein/well in a final volume of 500 μ...


US Patent US9902726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM373531
PNG
(US9902726, Compound 12)
Show SMILES CN1CC[C@]23Cc4[nH]c(=O)c(cc4C[C@H]2[C@H]1Cc1ccc(O)cc31)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H26N2O4S/c1-28-10-9-26-15-22-17(11-21(26)23(28)12-16-7-8-18(29)14-20(16)26)13-24(25(30)27-22)33(31,32)19-5-3-2-4-6-19/h2-8,13-14,21,23,29H,9-12,15H2,1H3,(H,27,30)/t21-,23+,26+/m0/s1
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2.78E+3n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9902726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM373530
PNG
(US9902726, Compound 11)
Show SMILES CN1CC[C@]23Cc4[nH]c(=O)c(cc4C[C@H]2[C@H]1Cc1ccc(O)cc31)S(C)(=O)=O
Show InChI InChI=1S/C21H24N2O4S/c1-23-6-5-21-11-17-13(9-19(20(25)22-17)28(2,26)27)7-16(21)18(23)8-12-3-4-14(24)10-15(12)21/h3-4,9-10,16,18,24H,5-8,11H2,1-2H3,(H,22,25)/t16-,18+,21+/m0/s1
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1.31E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9902726 (2018)

More data for this
Ligand-Target Pair
Opioid receptors; mu/kappa/delta


(Homo sapiens (Human))
BDBM373529
PNG
(US9902726, Compound 8)
Show SMILES CN1CC[C@]23Cc4[nH]c(=O)c(cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc31)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C26H26N2O5S/c1-28-10-9-25-15-21-17(11-22(24(30)27-21)34(32,33)19-5-3-2-4-6-19)14-26(25,31)23(28)12-16-7-8-18(29)13-20(16)25/h2-8,11,13,23,29,31H,9-10,12,14-15H2,1H3,(H,27,30)/t23-,25-,26-/m1/s1
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1.95E+4n/an/an/an/an/an/an/an/a



Purdue Pharma L.P.

US Patent


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


US Patent US9902726 (2018)

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