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Compile Data Set for Download or QSAR

Found 6 hits of ki for monomerid = 179892   
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
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179892
PNG
(US10287250, Compound C.11 | US9133125, Table C, Co...)
Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(cc13)C(N)=O)[C@@H]2N |r|
Show InChI InChI=1/C17H24N2O/c1-17-8-4-2-3-5-12(15(17)18)9-11-6-7-13(16(19)20)10-14(11)17/h6-7,10,12,15H,2-5,8-9,18H2,1H3,(H2,19,20)/t12-,15-,17+/s2
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US Patent
2.30 -49.3 170n/an/an/an/a7.525



ALKERMES PHARMA IRELAND LIMITED

US Patent


Assay Description
The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o...


US Patent US9133125 (2015)


BindingDB Entry DOI: 10.7270/Q2736PPB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179892
PNG
(US10287250, Compound C.11 | US9133125, Table C, Co...)
Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(cc13)C(N)=O)[C@@H]2N |r|
Show InChI InChI=1/C17H24N2O/c1-17-8-4-2-3-5-12(15(17)18)9-11-6-7-13(16(19)20)10-14(11)17/h6-7,10,12,15H,2-5,8-9,18H2,1H3,(H2,19,20)/t12-,15-,17+/s2
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US Patent
2.30n/an/an/an/an/an/an/an/a



ALKERMES PHARMA IRELAND LIMITED

US Patent




US Patent US9656961 (2017)


BindingDB Entry DOI: 10.7270/Q2PR7Z13
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179892
PNG
(US10287250, Compound C.11 | US9133125, Table C, Co...)
Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(cc13)C(N)=O)[C@@H]2N |r|
Show InChI InChI=1/C17H24N2O/c1-17-8-4-2-3-5-12(15(17)18)9-11-6-7-13(16(19)20)10-14(11)17/h6-7,10,12,15H,2-5,8-9,18H2,1H3,(H2,19,20)/t12-,15-,17+/s2
PDB

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Article
2.30n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company





Bioorg Med Chem Lett 17: 4284-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.031
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179892
PNG
(US10287250, Compound C.11 | US9133125, Table C, Co...)
Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(cc13)C(N)=O)[C@@H]2N |r|
Show InChI InChI=1/C17H24N2O/c1-17-8-4-2-3-5-12(15(17)18)9-11-6-7-13(16(19)20)10-14(11)17/h6-7,10,12,15H,2-5,8-9,18H2,1H3,(H2,19,20)/t12-,15-,17+/s2
PDB

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US Patent
3 -48.6 170n/an/an/an/a7.525



ALKERMES PHARMA IRELAND LIMITED

US Patent


Assay Description
The Ki (binding affinity) for u opioid receptors was determined using a competitive displacement assay as previously described in Neumeyer (Journal o...


US Patent US9133125 (2015)


BindingDB Entry DOI: 10.7270/Q2736PPB
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179892
PNG
(US10287250, Compound C.11 | US9133125, Table C, Co...)
Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(cc13)C(N)=O)[C@@H]2N |r|
Show InChI InChI=1/C17H24N2O/c1-17-8-4-2-3-5-12(15(17)18)9-11-6-7-13(16(19)20)10-14(11)17/h6-7,10,12,15H,2-5,8-9,18H2,1H3,(H2,19,20)/t12-,15-,17+/s2
PDB

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US Patent
3n/an/an/an/an/an/an/an/a



ALKERMES PHARMA IRELAND LIMITED

US Patent




US Patent US9656961 (2017)


BindingDB Entry DOI: 10.7270/Q2PR7Z13
More data for this
Ligand-Target Pair
Cannabinoid receptor 1/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM179892
PNG
(US10287250, Compound C.11 | US9133125, Table C, Co...)
Show SMILES C[C@@]12CCCCC[C@@H](Cc3ccc(cc13)C(N)=O)[C@@H]2N |r|
Show InChI InChI=1/C17H24N2O/c1-17-8-4-2-3-5-12(15(17)18)9-11-6-7-13(16(19)20)10-14(11)17/h6-7,10,12,15H,2-5,8-9,18H2,1H3,(H2,19,20)/t12-,15-,17+/s2
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company





Bioorg Med Chem Lett 17: 4284-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.031
More data for this
Ligand-Target Pair