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Patent code US9700563

Compile Data Set for Download or QSAR
Found 3 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))
BDBM247007
PNG
(US9700563, 4)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C(=N)NCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H30FN3O/c1-31(2)16-6-15-27(23-10-12-24(28)13-11-23)25-14-9-21(17-22(25)19-32-27)26(29)30-18-20-7-4-3-5-8-20/h3-5,7-14,17H,6,15-16,18-19H2,1-2H3,(H2,29,30)
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PC cid
PC sid
UniChem
US Patent
30n/an/an/an/an/an/an/an/a



MediSynergies, LLC

US Patent


Assay Description
The compounds were tested for activity vs. opioid receptor subtypes Kappa (KOR), Delta (DOR) and Mu (MOR) at an initial concentration of 10 μM e...


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


(Homo sapiens (human))
BDBM247009
PNG
(US9700563, 7)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1ncc[nH]1)c1ccc(F)cc1
Show InChI InChI=1S/C22H24FN3O/c1-26(2)13-3-10-22(18-5-7-19(23)8-6-18)20-9-4-16(14-17(20)15-27-22)21-24-11-12-25-21/h4-9,11-12,14H,3,10,13,15H2,1-2H3,(H,24,25)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
47n/an/an/an/an/an/an/an/a



MediSynergies, LLC

US Patent


Assay Description
The compounds were tested for activity vs. opioid receptor subtypes Kappa (KOR), Delta (DOR) and Mu (MOR) at an initial concentration of 10 μM e...


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


(Homo sapiens (human))
BDBM247008
PNG
(US9700563, 6)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)C(=N)N1CCCC1)c1ccc(F)cc1
Show InChI InChI=1S/C24H30FN3O/c1-27(2)13-5-12-24(20-7-9-21(25)10-8-20)22-11-6-18(16-19(22)17-29-24)23(26)28-14-3-4-15-28/h6-11,16,26H,3-5,12-15,17H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
249n/an/an/an/an/an/an/an/a



MediSynergies, LLC

US Patent


Assay Description
The compounds were tested for activity vs. opioid receptor subtypes Kappa (KOR), Delta (DOR) and Mu (MOR) at an initial concentration of 10 μM e...


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