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Patent code US10364234

Compile Data Set for Download or QSAR
Found 5 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
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM408664
PNG
((R)-5-cyano-4-ethoxy-N-(1-(2-hydroxy-2-(4-methyl-1...)
Show SMILES CCOc1cc(ncc1C#N)C(=O)NC1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C25H28N4O5/c1-3-33-23-10-21(27-12-16(23)11-26)24(31)28-17-6-8-29(9-7-17)13-22(30)18-4-5-19-20(15(18)2)14-34-25(19)32/h4-5,10,12,17,22,30H,3,6-9,13-14H2,1-2H3,(H,28,31)/t22-/m0/s1
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PC sid
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US Patent
n/an/a 28n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
The Inhibitory Activity of the Present Compounds on Human ROMK and Rat ROMK ChannelsThe method described hereafter was used for determining the inhib...


US Patent US10364234 (2019)


BindingDB Entry DOI: 10.7270/Q2P271GV
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM408663
PNG
((R)-5-cyano-N-(1-(2-hydroxy-2-(4-methyl-1-oxo-1,3-...)
Show SMILES COc1cc(ncc1C#N)C(=O)NC1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C24H26N4O5/c1-14-17(3-4-18-19(14)13-33-24(18)31)21(29)12-28-7-5-16(6-8-28)27-23(30)20-9-22(32-2)15(10-25)11-26-20/h3-4,9,11,16,21,29H,5-8,12-13H2,1-2H3,(H,27,30)/t21-/m0/s1
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US Patent
n/an/a 40n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
The Inhibitory Activity of the Present Compounds on Human ROMK and Rat ROMK ChannelsThe method described hereafter was used for determining the inhib...


US Patent US10364234 (2019)


BindingDB Entry DOI: 10.7270/Q2P271GV
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM408664
PNG
((R)-5-cyano-4-ethoxy-N-(1-(2-hydroxy-2-(4-methyl-1...)
Show SMILES CCOc1cc(ncc1C#N)C(=O)NC1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C25H28N4O5/c1-3-33-23-10-21(27-12-16(23)11-26)24(31)28-17-6-8-29(9-7-17)13-22(30)18-4-5-19-20(15(18)2)14-34-25(19)32/h4-5,10,12,17,22,30H,3,6-9,13-14H2,1-2H3,(H,28,31)/t22-/m0/s1
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US Patent
n/an/a 89n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
The Inhibitory Activity of the Present Compounds on Human ROMK and Rat ROMK ChannelsThe method described hereafter was used for determining the inhib...


US Patent US10364234 (2019)


BindingDB Entry DOI: 10.7270/Q2P271GV
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM408663
PNG
((R)-5-cyano-N-(1-(2-hydroxy-2-(4-methyl-1-oxo-1,3-...)
Show SMILES COc1cc(ncc1C#N)C(=O)NC1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C24H26N4O5/c1-14-17(3-4-18-19(14)13-33-24(18)31)21(29)12-28-7-5-16(6-8-28)27-23(30)20-9-22(32-2)15(10-25)11-26-20/h3-4,9,11,16,21,29H,5-8,12-13H2,1-2H3,(H,27,30)/t21-/m0/s1
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US Patent
n/an/a 192n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
The Inhibitory Activity of the Present Compounds on Human ROMK and Rat ROMK ChannelsThe method described hereafter was used for determining the inhib...


US Patent US10364234 (2019)


BindingDB Entry DOI: 10.7270/Q2P271GV
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM408663
PNG
((R)-5-cyano-N-(1-(2-hydroxy-2-(4-methyl-1-oxo-1,3-...)
Show SMILES COc1cc(ncc1C#N)C(=O)NC1CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1
Show InChI InChI=1S/C24H26N4O5/c1-14-17(3-4-18-19(14)13-33-24(18)31)21(29)12-28-7-5-16(6-8-28)27-23(30)20-9-22(32-2)15(10-25)11-26-20/h3-4,9,11,16,21,29H,5-8,12-13H2,1-2H3,(H,27,30)/t21-/m0/s1
PDB
MMDB

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US Patent
n/an/a 4.37E+4n/an/an/an/an/an/a



Jiangsu Hengrui Medicine Co., Ltd.

US Patent


Assay Description
The method described hereafter is used for determining the inhibitory activity of the present compounds on hERG1. Materials and Instruments(1) FluxOR...


US Patent US10364234 (2019)


BindingDB Entry DOI: 10.7270/Q2P271GV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%