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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 437.6
BDBM133857

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   
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))
BDBM133857
PNG
(US8846929, 22)
Show SMILES NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C26H39N5O/c27-20-12-16-30(17-13-20)25-26(32)31(24-11-7-6-10-23(24)28-25)22-14-18-29(19-15-22)21-8-4-2-1-3-5-9-21/h6-7,10-11,20-22H,1-5,8-9,12-19,27H2
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US Patent
30.4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose displacement assays used 0.4-0.8nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 ug membrane protein (recombinant kappa opioid receptor...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Opioid growth factor receptor-like protein 1


(Homo sapiens (Human))
BDBM133857
PNG
(US8846929, 22)
Show SMILES NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C26H39N5O/c27-20-12-16-30(17-13-20)25-26(32)31(24-11-7-6-10-23(24)28-25)22-14-18-29(19-15-22)21-8-4-2-1-3-5-9-21/h6-7,10-11,20-22H,1-5,8-9,12-19,27H2
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antibodypedia
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US Patent
35.2n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand binding assays (screening and dose-displacement) used 0.1nM [3H]-nociceptin (NEN; 87.7 Cl/nimole) with 10-20 ug membrane protein in a fin...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM133857
PNG
(US8846929, 22)
Show SMILES NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C26H39N5O/c27-20-12-16-30(17-13-20)25-26(32)31(24-11-7-6-10-23(24)28-25)22-14-18-29(19-15-22)21-8-4-2-1-3-5-9-21/h6-7,10-11,20-22H,1-5,8-9,12-19,27H2
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US Patent
3.04E+3n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement binding assays for u-opioid receptors used 0.2nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20mg membrane protein/w...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM133857
PNG
(US8846929, 22)
Show SMILES NC1CCN(CC1)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show InChI InChI=1S/C26H39N5O/c27-20-12-16-30(17-13-20)25-26(32)31(24-11-7-6-10-23(24)28-25)22-14-18-29(19-15-22)21-8-4-2-1-3-5-9-21/h6-7,10-11,20-22H,1-5,8-9,12-19,27H2
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US Patent
1.94E+4n/an/an/an/an/an/a7.4n/a



Purdue Pharma L.P.; Shionogi & Co., Ltd.

US Patent


Assay Description
Radioligand dose-displacement assays used 0.2nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20ug membrane protein (recombinant delta opioid recepto...


US Patent US8846929 (2014)


BindingDB Entry DOI: 10.7270/Q2G44P04
More data for this
Ligand-Target Pair