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Patent code US10851108

Compile Data Set for Download or QSAR
Found 7 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM475676
PNG
(1-(6-(2-hydroxy-2-(4-methyl-1-oxo- 1,3-dihydroisob...)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCc2nc(ncc2C1)-n1cc(cn1)C#N
Show InChI InChI=1S/C22H20N6O3/c1-13-16(2-3-17-18(13)12-31-21(17)30)20(29)11-27-5-4-19-15(10-27)8-24-22(26-19)28-9-14(6-23)7-25-28/h2-3,7-9,20,29H,4-5,10-12H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgC...


US Patent US10851108 (2020)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM475677
PNG
(5-(1-hydroxy-2-(2-(4-methyl-1H- imidazol-1-yl)-7,8...)
Show SMILES Cc1cn(cn1)-c1ncc2CN(CC(O)c3ccc4C(=O)OCc4c3C)CCc2n1
Show InChI InChI=1S/C22H23N5O3/c1-13-8-27(12-24-13)22-23-7-15-9-26(6-5-19(15)25-22)10-20(28)16-3-4-17-18(14(16)2)11-30-21(17)29/h3-4,7-8,12,20,28H,5-6,9-11H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgC...


US Patent US10851108 (2020)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM475673
PNG
(5-(2-(2-(1H-pyrazolo[4,3-b]pyridin- 1-yl)-7,8-dihy...)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCc2nc(ncc2C1)-n1ncc2ncccc12
Show InChI InChI=1S/C24H22N6O3/c1-14-16(4-5-17-18(14)13-33-23(17)32)22(31)12-29-8-6-19-15(11-29)9-26-24(28-19)30-21-3-2-7-25-20(21)10-27-30/h2-5,7,9-10,22,31H,6,8,11-13H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgC...


US Patent US10851108 (2020)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM475678
PNG
(1-(6-(2-hydroxy-2-(4-methyl-1-oxo- 1,3-dihydroisob...)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCc2nc(ncc2C1)-n1cc(C#N)c2ncccc12
Show InChI InChI=1S/C26H22N6O3/c1-15-18(4-5-19-20(15)14-35-25(19)34)23(33)13-31-8-6-21-17(11-31)10-29-26(30-21)32-12-16(9-27)24-22(32)3-2-7-28-24/h2-5,7,10,12,23,33H,6,8,11,13-14H2,1H3
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgC...


US Patent US10851108 (2020)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM475672
PNG
(2-fluoro-4-((2-((1-oxo-1,3-dihydroisobenzofuran-5-...)
Show SMILES Fc1cc(Nc2ccc3CN(Cc4ccc5C(=O)OCc5c4)CCc3c2)ccc1C#N
Show InChI InChI=1S/C25H20FN3O2/c26-24-11-22(4-2-18(24)12-27)28-21-5-3-19-14-29(8-7-17(19)10-21)13-16-1-6-23-20(9-16)15-31-25(23)30/h1-6,9-11,28H,7-8,13-15H2
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgC...


US Patent US10851108 (2020)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM475674
PNG
(1-(6-(2-hydroxy-2-(4-methyl-1-oxo- 1,3-dihydroisob...)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCc2nc(ncc2C1)-n1ccc2c(cncc12)C#N
Show InChI InChI=1S/C26H22N6O3/c1-15-18(2-3-20-21(15)14-35-25(20)34)24(33)13-31-6-5-22-17(12-31)10-29-26(30-22)32-7-4-19-16(8-27)9-28-11-23(19)32/h2-4,7,9-11,24,33H,5-6,12-14H2,1H3
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n/an/a 34n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgC...


US Patent US10851108 (2020)

More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM475675
PNG
(5-(2-(2-(1H-imidazo[4,5-b]pyridin-1- yl)-7,8-dihyd...)
Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCc2nc(ncc2C1)-n1cnc2ncccc12
Show InChI InChI=1S/C24H22N6O3/c1-14-16(4-5-17-18(14)12-33-23(17)32)21(31)11-29-8-6-19-15(10-29)9-26-24(28-19)30-13-27-22-20(30)3-2-7-25-22/h2-5,7,9,13,21,31H,6,8,10-12H2,1H3
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n/an/a 87n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The coverslip plated with cells was placed in the experiment chamber perfused with bath solution composed of (in mM): 135 NaCl, 5 KCl, 2 CaCl2, 1 MgC...


US Patent US10851108 (2020)

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