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Patent code US8481743

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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM98008
PNG
(US8481743, 4)
Show SMILES CCC(=O)N(C1CCN(CCC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C34H41N3O2/c1-2-32(38)37(30-18-10-5-11-19-30)31-20-25-35(26-21-31)27-22-34(28-14-6-3-7-15-28,29-16-8-4-9-17-29)33(39)36-23-12-13-24-36/h3-11,14-19,31H,2,12-13,20-27H2,1H3
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US Patent
19.2n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM98007
PNG
(US8481743, 3)
Show SMILES CCC(=O)N(C1CCN(CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H39N3O2/c1-4-30(36)35(28-18-12-7-13-19-28)29-20-23-34(24-21-29)25-22-32(31(37)33(2)3,26-14-8-5-9-15-26)27-16-10-6-11-17-27/h5-19,29H,4,20-25H2,1-3H3
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US Patent
36.1n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM98009
PNG
(US8481743, 1)
Show SMILES CCC(=O)N(C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C30H33N3O/c1-2-29(34)33(27-16-10-5-11-17-27)28-18-21-32(22-19-28)23-20-30(24-31,25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,28H,2,18-23H2,1H3
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US Patent
82.8n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM98006
PNG
(US8481743, 2)
Show SMILES CCC(=O)N(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-2-29(32)31(26-16-10-5-11-17-26)27-18-21-30(22-19-27)23-20-28(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27-28H,2,18-23H2,1H3
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US Patent
331n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM98006
PNG
(US8481743, 2)
Show SMILES CCC(=O)N(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H34N2O/c1-2-29(32)31(26-16-10-5-11-17-26)27-18-21-30(22-19-27)23-20-28(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27-28H,2,18-23H2,1H3
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US Patent
4.40E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM98009
PNG
(US8481743, 1)
Show SMILES CCC(=O)N(C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C30H33N3O/c1-2-29(34)33(27-16-10-5-11-17-27)28-18-21-32(22-19-28)23-20-30(24-31,25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-17,28H,2,18-23H2,1H3
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US Patent
>2.00E+4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM98008
PNG
(US8481743, 4)
Show SMILES CCC(=O)N(C1CCN(CCC(C(=O)N2CCCC2)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C34H41N3O2/c1-2-32(38)37(30-18-10-5-11-19-30)31-20-25-35(26-21-31)27-22-34(28-14-6-3-7-15-28,29-16-8-4-9-17-29)33(39)36-23-12-13-24-36/h3-11,14-19,31H,2,12-13,20-27H2,1H3
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US Patent
>2.00E+4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
Nociceptin receptor


(Homo sapiens (Human))
BDBM98007
PNG
(US8481743, 3)
Show SMILES CCC(=O)N(C1CCN(CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H39N3O2/c1-4-30(36)35(28-18-12-7-13-19-28)29-20-23-34(24-21-29)25-22-32(31(37)33(2)3,26-14-8-5-9-15-26)27-16-10-6-11-17-27/h5-19,29H,4,20-25H2,1-3H3
PDB

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US Patent
>2.00E+4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.

US Patent


Assay Description
Radioligand binding assay (for screening and dose-displacement) using u-opioid and ORL-1 receptor.


US Patent US8481743 (2013)


BindingDB Entry DOI: 10.7270/Q2BK19Z7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%