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Compile Data Set for Download or QSAR

Found 238 hits Enz. Inhib. hit(s) with all data for 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
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 40n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 50n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 60n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 60n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 60n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163759
PNG
(US9062070, 15)
Show SMILES Cc1c(csc1[N+]#[C-])[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1 |r|
Show InChI InChI=1/C23H24N8O2S/c1-14-18(12-34-22(14)24-2)20-10-29-7-8-30(9-15(29)11-33-20)23(32)17-3-5-19-16(17)4-6-21(26-19)31-13-25-27-28-31/h4,6,12-13,15,17,20H,3,5,7-11H2,1H3/t15-,17?,20-/s2
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n/an/a 60n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 70n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163794
PNG
(US9062070, 49)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1/C26H27N7O4/c1-15-18(4-5-20-22(15)13-37-26(20)35)23-11-31-6-7-32(10-17(31)12-36-23)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+/s2
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n/an/a 80n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 80n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 80n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 80n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 80n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 80n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163828
PNG
(US9062070, 83)
Show SMILES Fc1ccc([C@H]2CN3CCN(C[C@@H]3CO2)C(=O)C2CCc3nc(ncc23)-n2cnnn2)c(Cl)c1[N+]#[C-] |r|
Show InChI InChI=1/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-/s2
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n/an/a 80n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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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
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 90n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163764
PNG
(US9062070, 19)
Show SMILES Fc1ccc([C@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3nc(ccc23)-n2cnnn2)c(F)c1[N+]#[C-] |r|
Show InChI InChI=1/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+/s2
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n/an/a 90n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 90n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 100n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 100n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 100n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 100n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 100n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 100n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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 100n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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 100n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163815
PNG
(US9062070, 70)
Show SMILES COc1c(F)c(ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2cc(ncc12)-n1cnnn1)[N+]#[C-] |r|
Show InChI InChI=1/C25H25FN8O3/c1-27-20-6-5-18(24(36-2)23(20)26)21-12-32-7-8-33(11-16(32)13-37-21)25(35)17-4-3-15-9-22(28-10-19(15)17)34-14-29-30-31-34/h5-6,9-10,14,16-17,21H,3-4,7-8,11-13H2,2H3/t16-,17?,21-/s2
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n/an/a 100n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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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
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163829
PNG
(US9062070, 84 | US9062070, 85)
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=1/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-/s2
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n/an/a 100n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163833
PNG
(US9062070, 88)
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=1/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-/s2
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n/an/a 100n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163847
PNG
(US9062070, 102)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H]2CN1)C(=O)C1CCc2nc(ncc12)-n1cnnn1 |r|
Show InChI InChI=1/C24H25FN10O/c1-14-16(3-5-19(25)22(14)26-2)21-12-33-7-8-34(11-15(33)9-27-21)23(36)17-4-6-20-18(17)10-28-24(30-20)35-13-29-31-32-35/h3,5,10,13,15,17,21,27H,4,6-9,11-12H2,1H3/t15-,17?,21-/s2
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n/an/a 100n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 110n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 110n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163763
PNG
(US9062070, 18)
Show SMILES Fc1ccc([C@@H]2CN3CCN(C[C@H]3CO2)C(=O)C2CCc3nc(ccc23)-n2cnnn2)c(F)c1[N+]#[C-] |r|
Show InChI InChI=1/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-/s2
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n/an/a 110n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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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
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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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
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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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
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 110n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 110n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 110n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163798
PNG
(US9062070, 53 | US9062070, 54)
Show SMILES O=C(C1CCc2cc(ncc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
Show InChI InChI=1/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-/s2
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n/an/a 110n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163798
PNG
(US9062070, 53 | US9062070, 54)
Show SMILES O=C(C1CCc2cc(ncc12)-n1cnnn1)N1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1 |r|
Show InChI InChI=1/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-/s2
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n/an/a 110n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163816
PNG
(US9062070, 71)
Show SMILES Cc1c(cccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)C1CCc2nc(ccc12)-n1cnnn1)[N+]#[C-] |r|
Show InChI InChI=1/C25H26N8O2/c1-16-18(4-3-5-21(16)26-2)23-13-31-10-11-32(12-17(31)14-35-23)25(34)20-6-8-22-19(20)7-9-24(28-22)33-15-27-29-30-33/h3-5,7,9,15,17,20,23H,6,8,10-14H2,1H3/t17-,20?,23-/s2
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n/an/a 120n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 120n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(Rattus norvegicus (Rat))
BDBM163834
PNG
(US9062070, 89)
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=1/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+/s2
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n/an/a 120n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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+/s2
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n/an/a 120n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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-/s2
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n/an/a 120n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Block of Kir1.1 (ROMK1) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...


US Patent US9062070 (2015)


BindingDB Entry DOI: 10.7270/Q2WQ02JX
More data for this
Ligand-Target Pair
Renal Outer Medullary Potassium (ROMK)


(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=1/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
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