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Compile Data Set for Download or QSAR

Found 121 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 6996   
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


(Rattus norvegicus (Rat))
BDBM163761
PNG
(US9062070, 17 | US9062070, 17A)
Show SMILES O=C(C1CCc2nc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
Show InChI InChI=1S/C26H27N7O4/c34-25(21-3-5-22-20(21)4-6-24(28-22)33-15-27-29-30-33)32-9-8-31-13-23(37-14-18(31)12-32)17-1-2-19-16(11-17)7-10-36-26(19)35/h1-2,4,6,11,15,18,21,23H,3,5,7-10,12-14H2/t18-,21?,23-/m0/s1
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n/an/a 90n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163770
PNG
(US9062070, 25)
Show SMILES Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ncc23)-n2cnnn2)c(F)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22F2N8O2/c1-27-23-19(25)5-4-17(22(23)26)20-11-32-6-7-33(10-15(32)12-36-20)24(35)16-3-2-14-8-21(28-9-18(14)16)34-13-29-30-31-34/h4-5,8-9,13,15-16,20H,2-3,6-7,10-12H2/t15-,16?,20+/m0/s1
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n/an/a 100n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163776
PNG
(US9062070, 31)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ncc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22ClFN8O2/c1-27-23-19(26)5-4-17(22(23)25)20-11-32-6-7-33(10-15(32)12-36-20)24(35)16-3-2-14-8-21(28-9-18(14)16)34-13-29-30-31-34/h4-5,8-9,13,15-16,20H,2-3,6-7,10-12H2/t15-,16?,20-/m0/s1
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n/an/a 110n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163769
PNG
(US9062070, 24)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@@H]3CO2)C(=O)C2CCc3cc(ncc23)-n2cnnn2)c(F)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22F2N8O2/c1-27-23-19(25)5-4-17(22(23)26)20-11-32-6-7-33(10-15(32)12-36-20)24(35)16-3-2-14-8-21(28-9-18(14)16)34-13-29-30-31-34/h4-5,8-9,13,15-16,20H,2-3,6-7,10-12H2/t15-,16?,20+/m1/s1
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n/an/a 110n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163802
PNG
(US9062070, 57)
Show SMILES O=C(C1CCc2nc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
Show InChI InChI=1S/C25H25N7O4/c33-24(20-3-5-21-19(20)4-6-23(27-21)32-14-26-28-29-32)31-8-7-30-11-22(35-13-17(30)10-31)15-1-2-18-16(9-15)12-36-25(18)34/h1-2,4,6,9,14,17,20,22H,3,5,7-8,10-13H2/t17-,20?,22-/m0/s1
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n/an/a 110n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163857
PNG
(US9062070, 2A | US9062070, 2B | US9062070, 2C | US...)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3
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n/an/a 120n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163779
PNG
(US9062070, 34)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3/t16-,19?,22-/m1/s1
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n/an/a 120n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163809
PNG
(US9062070, 64 | US9062070, 65)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@@H]3CO2)C(=O)C2CCc3nc(ccc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22ClFN8O2/c1-27-23-18(26)5-2-17(22(23)25)20-11-32-8-9-33(10-14(32)12-36-20)24(35)16-3-6-19-15(16)4-7-21(29-19)34-13-28-30-31-34/h2,4-5,7,13-14,16,20H,3,6,8-12H2/t14-,16?,20+/m1/s1
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n/an/a 120n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163857
PNG
(US9062070, 2A | US9062070, 2B | US9062070, 2C | US...)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3
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n/an/a 130n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163857
PNG
(US9062070, 2A | US9062070, 2B | US9062070, 2C | US...)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3
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n/an/a 130n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163777
PNG
(US9062070, 32)
Show SMILES Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ncc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22ClFN8O2/c1-27-23-19(26)5-4-17(22(23)25)20-11-32-6-7-33(10-15(32)12-36-20)24(35)16-3-2-14-8-21(28-9-18(14)16)34-13-29-30-31-34/h4-5,8-9,13,15-16,20H,2-3,6-7,10-12H2/t15-,16?,20+/m0/s1
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n/an/a 130n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163857
PNG
(US9062070, 2A | US9062070, 2B | US9062070, 2C | US...)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3
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n/an/a 140n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163806
PNG
(US9062070, 61 | US9062070, 62)
Show SMILES Cc1c2COC(=O)c2ccc1C1CN2CCN(CC2CCO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C27H29N7O4/c1-16-18(2-3-21-22(16)14-38-27(21)36)24-13-32-9-10-33(12-17(32)8-11-37-24)26(35)20-4-6-23-19(20)5-7-25(29-23)34-15-28-30-31-34/h2-3,5,7,15,17,20,24H,4,6,8-14H2,1H3
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n/an/a 140n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163750
PNG
(US9062070, 6 | US9062070, 7)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3/t16-,19?,22-/m0/s1
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n/an/a 140n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163800
PNG
(US9062070, 55 | US9062070, 56)
Show SMILES O=C(C1CCc2cc(ncc12)-n1cnnn1)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
Show InChI InChI=1S/C25H25N7O4/c33-24(20-4-1-15-8-23(26-9-21(15)20)32-14-27-28-29-32)31-6-5-30-11-22(35-13-18(30)10-31)16-2-3-19-17(7-16)12-36-25(19)34/h2-3,7-9,14,18,20,22H,1,4-6,10-13H2/t18-,20?,22+/m0/s1
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n/an/a 140n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163826
PNG
(US9062070, 81 | US9062070, 82)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@@H]3CO2)C(=O)C2CCc3nc(ncc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1S/C23H21ClFN9O2/c1-26-21-17(25)4-2-15(20(21)24)19-10-32-6-7-33(9-13(32)11-36-19)22(35)14-3-5-18-16(14)8-27-23(29-18)34-12-28-30-31-34/h2,4,8,12-14,19H,3,5-7,9-11H2/t13-,14?,19+/m1/s1
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n/an/a 140n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163850
PNG
(US9062070, 105 | US9062070, 106)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CN1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H26FN9O/c1-15-18(5-6-21(26)24(15)27-2)22-13-33-7-8-34(12-17(33)10-28-22)25(36)19-4-3-16-9-23(29-11-20(16)19)35-14-30-31-32-35/h5-6,9,11,14,17,19,22,28H,3-4,7-8,10,12-13H2,1H3/t17-,19?,22-/m0/s1
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n/an/a 140n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163767
PNG
(US9062070, 22)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3cc(ncc23)-n2cnnn2)c(F)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22F2N8O2/c1-27-23-19(25)5-4-17(22(23)26)20-11-32-6-7-33(10-15(32)12-36-20)24(35)16-3-2-14-8-21(28-9-18(14)16)34-13-29-30-31-34/h4-5,8-9,13,15-16,20H,2-3,6-7,10-12H2/t15-,16?,20-/m0/s1
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n/an/a 160n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163842
PNG
(US9062070, 97)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CN1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H26FN9O/c1-15-18(5-6-21(26)24(15)27-2)22-13-33-7-8-34(12-17(33)10-28-22)25(36)19-4-3-16-9-23(29-11-20(16)19)35-14-30-31-32-35/h5-6,9,11,14,17,19,22,28H,3-4,7-8,10,12-13H2,1H3/t17-,19?,22-/m1/s1
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n/an/a 160n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163748
PNG
(US9062070, 4 | US9062070, 5)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3/t16-,19?,22+/m0/s1
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n/an/a 170n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163789
PNG
(US9062070, 44)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H25FN8O2/c1-15-18(5-6-21(26)24(15)27-2)22-12-32-7-8-33(11-17(32)13-36-22)25(35)19-4-3-16-9-23(28-10-20(16)19)34-14-29-30-31-34/h5-6,9-10,14,17,19,22H,3-4,7-8,11-13H2,1H3/t17-,19?,22-/m0/s1
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n/an/a 170n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163826
PNG
(US9062070, 81 | US9062070, 82)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@@H]3CO2)C(=O)C2CCc3nc(ncc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1S/C23H21ClFN9O2/c1-26-21-17(25)4-2-15(20(21)24)19-10-32-6-7-33(9-13(32)11-36-19)22(35)14-3-5-18-16(14)8-27-23(29-18)34-12-28-30-31-34/h2,4,8,12-14,19H,3,5-7,9-11H2/t13-,14?,19+/m1/s1
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n/an/a 170n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163840
PNG
(US9062070, 95)
Show SMILES O=C(C1CCc2nc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C1CC1 |r|
Show InChI InChI=1S/C28H29N7O4/c36-27(19-5-7-23-18(19)6-8-25(30-23)35-15-29-31-32-35)34-10-9-33-12-24(38-13-17(33)11-34)21-4-3-20-22(14-39-28(20)37)26(21)16-1-2-16/h3-4,6,8,15-17,19,24H,1-2,5,7,9-14H2/t17-,19?,24-/m0/s1
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n/an/a 180n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163780
PNG
(US9062070, 35 | US9062070, 36)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H25FN8O2/c1-15-18(5-6-21(26)24(15)27-2)22-12-32-7-8-33(11-17(32)13-36-22)25(35)19-4-3-16-9-23(28-10-20(16)19)34-14-29-30-31-34/h5-6,9-10,14,17,19,22H,3-4,7-8,11-13H2,1H3/t17-,19?,22+/m0/s1
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n/an/a 180n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163848
PNG
(US9062070, 103 | US9062070, 104)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@@H]2CN1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H26FN9O/c1-15-18(5-6-21(26)24(15)27-2)22-13-33-7-8-34(12-17(33)10-28-22)25(36)19-4-3-16-9-23(29-11-20(16)19)35-14-30-31-32-35/h5-6,9,11,14,17,19,22,28H,3-4,7-8,10,12-13H2,1H3/t17-,19?,22+/m0/s1
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n/an/a 180n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163761
PNG
(US9062070, 17 | US9062070, 17A)
Show SMILES O=C(C1CCc2nc(ccc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1 |r|
Show InChI InChI=1S/C26H27N7O4/c34-25(21-3-5-22-20(21)4-6-24(28-22)33-15-27-29-30-33)32-9-8-31-13-23(37-14-18(31)12-32)17-1-2-19-16(11-17)7-10-36-26(19)35/h1-2,4,6,11,15,18,21,23H,3,5,7-10,12-14H2/t18-,21?,23-/m0/s1
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n/an/a 190n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163813
PNG
(US9062070, 68)
Show SMILES Fc1cc(F)c(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1S/C24H22F2N8O2/c1-27-21-7-17(19(25)8-20(21)26)22-11-32-4-5-33(10-15(32)12-36-22)24(35)16-3-2-14-6-23(28-9-18(14)16)34-13-29-30-31-34/h6-9,13,15-16,22H,2-5,10-12H2/t15-,16?,22-/m0/s1
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n/an/a 200n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163841
PNG
(US9062070, 96A)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CN1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H26FN9O/c1-15-18(5-6-21(26)24(15)27-2)22-13-33-7-8-34(12-17(33)10-28-22)25(36)19-4-3-16-9-23(29-11-20(16)19)35-14-30-31-32-35/h5-6,9,11,14,17,19,22,28H,3-4,7-8,10,12-13H2,1H3/t17-,19?,22+/m1/s1
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n/an/a 200n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163824
PNG
(US9062070, 79)
Show SMILES Fc1ccc(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1S/C23H22FN9O2/c1-25-20-8-14(2-4-18(20)24)21-11-31-6-7-32(10-15(31)12-35-21)22(34)16-3-5-19-17(16)9-26-23(28-19)33-13-27-29-30-33/h2,4,8-9,13,15-16,21H,3,5-7,10-12H2/t15-,16?,21-/m0/s1
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n/an/a 210n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163800
PNG
(US9062070, 55 | US9062070, 56)
Show SMILES O=C(C1CCc2cc(ncc12)-n1cnnn1)N1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
Show InChI InChI=1S/C25H25N7O4/c33-24(20-4-1-15-8-23(26-9-21(15)20)32-14-27-28-29-32)31-6-5-30-11-22(35-13-18(30)10-31)16-2-3-19-17(7-16)12-36-25(19)34/h2-3,7-9,14,18,20,22H,1,4-6,10-13H2/t18-,20?,22+/m0/s1
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n/an/a 220n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163773
PNG
(US9062070, 28 | US9062070, 29)
Show SMILES Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3nc(ccc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22ClFN8O2/c1-27-23-18(26)5-2-17(22(23)25)20-11-32-8-9-33(10-14(32)12-36-20)24(35)16-3-6-19-15(16)4-7-21(29-19)34-13-28-30-31-34/h2,4-5,7,13-14,16,20H,3,6,8-12H2/t14-,16?,20+/m0/s1
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n/an/a 220n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163771
PNG
(US9062070, 26 | US9062070, 27)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3nc(ccc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22ClFN8O2/c1-27-23-18(26)5-2-17(22(23)25)20-11-32-8-9-33(10-14(32)12-36-20)24(35)16-3-6-19-15(16)4-7-21(29-19)34-13-28-30-31-34/h2,4-5,7,13-14,16,20H,3,6,8-12H2/t14-,16?,20-/m0/s1
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n/an/a 220n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163857
PNG
(US9062070, 2A | US9062070, 2B | US9062070, 2C | US...)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3
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n/an/a 220n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163765
PNG
(US9062070, 20)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@@H]3CO2)C(=O)C2CCc3nc(ccc23)-n2cnnn2)c(F)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22F2N8O2/c1-27-23-18(25)5-2-17(22(23)26)20-11-32-8-9-33(10-14(32)12-36-20)24(35)16-3-6-19-15(16)4-7-21(29-19)34-13-28-30-31-34/h2,4-5,7,13-14,16,20H,3,6,8-12H2/t14-,16?,20+/m1/s1
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n/an/a 230n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163771
PNG
(US9062070, 26 | US9062070, 27)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3nc(ccc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22ClFN8O2/c1-27-23-18(26)5-2-17(22(23)25)20-11-32-8-9-33(10-14(32)12-36-20)24(35)16-3-6-19-15(16)4-7-21(29-19)34-13-28-30-31-34/h2,4-5,7,13-14,16,20H,3,6,8-12H2/t14-,16?,20-/m0/s1
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n/an/a 230n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163750
PNG
(US9062070, 6 | US9062070, 7)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3/t16-,19?,22-/m0/s1
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n/an/a 240n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163766
PNG
(US9062070, 21)
Show SMILES Fc1ccc([C@H]2CN3CCN(C[C@@H]3CO2)C(=O)C2CCc3nc(ccc23)-n2cnnn2)c(F)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22F2N8O2/c1-27-23-18(25)5-2-17(22(23)26)20-11-32-8-9-33(10-14(32)12-36-20)24(35)16-3-6-19-15(16)4-7-21(29-19)34-13-28-30-31-34/h2,4-5,7,13-14,16,20H,3,6,8-12H2/t14-,16?,20-/m1/s1
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n/an/a 240n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163820
PNG
(US9062070, 75)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1Cc2cnc(nc2C1)-n1cnnn1 |r|
Show InChI InChI=1S/C24H24FN9O2/c1-14-18(3-4-19(25)22(14)26-2)21-11-32-5-6-33(10-17(32)12-36-21)23(35)15-7-16-9-27-24(29-20(16)8-15)34-13-28-30-31-34/h3-4,9,13,15,17,21H,5-8,10-12H2,1H3/t15?,17-,21+/m1/s1
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n/an/a 250n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163747
PNG
(US9062070, 3)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H26N8O4/c1-14-16(2-3-18-20(14)12-37-24(18)35)22-10-31-6-7-32(9-15(31)11-36-22)23(34)17-4-5-21-19(17)8-26-25(28-21)33-13-27-29-30-33/h2-3,8,13,15,17,22H,4-7,9-12H2,1H3/t15-,17?,22+/m0/s1
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n/an/a 250n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163825
PNG
(US9062070, 80)
Show SMILES Fc1ccc(cc1[N+]#[C-])[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCc2nc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1S/C23H22FN9O2/c1-25-20-8-14(2-4-18(20)24)21-11-31-6-7-32(10-15(31)12-35-21)22(34)16-3-5-19-17(16)9-26-23(28-19)33-13-27-29-30-33/h2,4,8-9,13,15-16,21H,3,5-7,10-12H2/t15-,16?,21+/m1/s1
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n/an/a 260n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163857
PNG
(US9062070, 2A | US9062070, 2B | US9062070, 2C | US...)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])C1CN2CCN(CC2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C25H25FN8O2/c1-15-17(3-6-20(26)24(15)27-2)22-12-32-9-10-33(11-16(32)13-36-22)25(35)19-4-7-21-18(19)5-8-23(29-21)34-14-28-30-31-34/h3,5-6,8,14,16,19,22H,4,7,9-13H2,1H3
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n/an/a 270n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163785
PNG
(US9062070, 40 | US9062070, 41)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1S/C25H25FN8O2/c1-15-18(5-6-21(26)24(15)27-2)22-12-32-7-8-33(11-17(32)13-36-22)25(35)19-4-3-16-9-23(28-10-20(16)19)34-14-29-30-31-34/h5-6,9-10,14,17,19,22H,3-4,7-8,11-13H2,1H3/t17-,19?,22-/m1/s1
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n/an/a 270n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163804
PNG
(US9062070, 59 | US9062070, 60)
Show SMILES C[C@H]1Cc2cc(ccc2C(=O)O1)C1CN2CCN(CC2(C)CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1S/C28H31N7O4/c1-17-11-19-12-18(3-4-20(19)27(37)39-17)24-13-34-10-9-33(14-28(34,2)15-38-24)26(36)22-5-7-23-21(22)6-8-25(30-23)35-16-29-31-32-35/h3-4,6,8,12,16-17,22,24H,5,7,9-11,13-15H2,1-2H3/t17-,22?,24?,28?/m0/s1
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n/an/a 270n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163835
PNG
(US9062070, 90)
Show SMILES C[C@@H]1Cc2c(F)c(ccc2C(=O)O1)[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1S/C27H28FN7O4/c1-15-10-21-19(27(37)39-15)2-3-20(25(21)28)23-12-33-8-9-34(11-16(33)13-38-23)26(36)18-4-6-22-17(18)5-7-24(30-22)35-14-29-31-32-35/h2-3,5,7,14-16,18,23H,4,6,8-13H2,1H3/t15-,16+,18?,23+/m1/s1
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n/an/a 280n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163775
PNG
(US9062070, 30)
Show SMILES Fc1ccc([C@H]2CN3CCN(C[C@@H]3CO2)C(=O)C2CCc3nc(ccc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1S/C24H22ClFN8O2/c1-27-23-18(26)5-2-17(22(23)25)20-11-32-8-9-33(10-14(32)12-36-20)24(35)16-3-6-19-15(16)4-7-21(29-19)34-13-28-30-31-34/h2,4-5,7,13-14,16,20H,3,6,8-12H2/t14-,16?,20-/m1/s1
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n/an/a 290n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163839
PNG
(US9062070, 94)
Show SMILES Cc1c(cccc1[C@@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCc2cc(ncc12)-n1cnnn1)[N+]#[C-] |r|
Show InChI InChI=1S/C25H26N8O2/c1-16-19(4-3-5-22(16)26-2)23-13-31-8-9-32(12-18(31)14-35-23)25(34)20-7-6-17-10-24(27-11-21(17)20)33-15-28-29-30-33/h3-5,10-11,15,18,20,23H,6-9,12-14H2,1H3/t18-,20?,23+/m1/s1
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n/an/a 290n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163743
PNG
(US9062070, 1C | US9062070, 1J)
Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1S/C27H29N7O4/c1-16-10-18-11-17(2-3-20(18)27(36)38-16)24-13-32-8-9-33(12-19(32)14-37-24)26(35)22-4-6-23-21(22)5-7-25(29-23)34-15-28-30-31-34/h2-3,5,7,11,15-16,19,22,24H,4,6,8-10,12-14H2,1H3/t16-,19-,22?,24-/m1/s1
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n/an/a 310n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163817
PNG
(US9062070, 72 | US9062070, 73)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CS1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1S/C26H27N7O3S/c1-15-18(4-5-20-22(15)12-36-26(20)35)23-11-31-6-7-32(10-17(31)13-37-23)25(34)19-3-2-16-8-24(27-9-21(16)19)33-14-28-29-30-33/h4-5,8-9,14,17,19,23H,2-3,6-7,10-13H2,1H3/t17-,19?,23+/m0/s1
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n/an/a 320n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163811
PNG
(US9062070, 66)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1S/C26H27N7O4/c1-15-17(2-3-20-21(15)13-37-26(20)35)23-11-31-8-9-32(10-16(31)12-36-23)25(34)19-4-6-22-18(19)5-7-24(28-22)33-14-27-29-30-33/h2-3,5,7,14,16,19,23H,4,6,8-13H2,1H3/t16-,19?,23-/m0/s1
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n/an/a 320n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))
BDBM163831
PNG
(US9062070, 86)
Show SMILES C[C@H]1Cc2c(F)c(ccc2C(=O)O1)[C@H]1CN2CCN(C[C@@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1S/C27H28FN7O4/c1-15-10-21-19(27(37)39-15)2-3-20(25(21)28)23-12-33-8-9-34(11-16(33)13-38-23)26(36)18-4-6-22-17(18)5-7-24(30-22)35-14-29-31-32-35/h2-3,5,7,14-16,18,23H,4,6,8-13H2,1H3/t15-,16+,18?,23+/m0/s1
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n/an/a 320n/an/an/an/an/a37



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ROMK channel functional thallium flux assay is performed in 384 wells, using the FLIPR-Tetra instrument. HEK-hKir1.1 cells are seeded in Poly-D-L...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
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