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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
Kappa-type opioid receptor


(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 sid
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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...

US Patent US9700563 (2017)


BindingDB Entry DOI: 10.7270/Q22J6DV6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM247009
PNG
(US9700563, 7)
Show SMILES CN(C)CCCC1(OCc2cc(ccc12)-c1ncc[nH]1)c1ccc(F)cc1
PDB

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UniProtKB/SwissProt

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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...

US Patent US9700563 (2017)


BindingDB Entry DOI: 10.7270/Q22J6DV6
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(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

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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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...

US Patent US9700563 (2017)


BindingDB Entry DOI: 10.7270/Q22J6DV6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%