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Patent code US9056859

Compile Data Set for Download or QSAR
Found 11 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


(Rattus norvegicus (Rat))		BDBM162868
PNG
(US9056859, 11)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C24H26N6O3/c31-23(15-18-2-5-21(6-3-18)30-17-25-26-27-30)29-10-1-9-28(12-13-29)11-8-19-4-7-22-20(14-19)16-33-24(22)32/h2-7,14,17H,1,8-13,15-16H2
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n/an/a 12n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))		BDBM162872
PNG
(US9056859, 72)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1ccc(nc1)-n1cnnn1
Show InChI InChI=1S/C23H25N7O3/c1-16-18(3-4-19-20(16)14-33-23(19)32)6-7-28-8-10-29(11-9-28)22(31)12-17-2-5-21(24-13-17)30-15-25-26-27-30/h2-5,13,15H,6-12,14H2,1H3
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n/an/a 20n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))		BDBM162870
PNG
(US9056859, 48)
Show SMILES COc1cc(CC(=O)N2CCN(CCc3ccc4C(=O)OCc4c3C)CC2)c(F)cc1C#N
Show InChI InChI=1S/C25H26FN3O4/c1-16-17(3-4-20-21(16)15-33-25(20)31)5-6-28-7-9-29(10-8-28)24(30)13-18-12-23(32-2)19(14-27)11-22(18)26/h3-4,11-12H,5-10,13,15H2,1-2H3
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n/an/a 35n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))		BDBM162874
PNG
(US9056859, 122)
Show SMILES Cc1c(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)ccc(F)c1[N+]#[C-]
Show InChI InChI=1S/C23H24FN7O/c1-17-19(5-8-21(24)23(17)25-2)9-10-29-11-13-30(14-12-29)22(32)15-18-3-6-20(7-4-18)31-16-26-27-28-31/h3-8,16H,9-15H2,1H3
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n/an/a 37n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))		BDBM162876
PNG
(US9056859, 217)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN(C2CC12)C(=O)Cc1ccc(nc1)-n1cnnn1 |r|
Show InChI InChI=1S/C24H25N7O4/c1-14-16(3-4-17-18(14)12-35-24(17)34)21(32)11-29-6-7-30(20-9-19(20)29)23(33)8-15-2-5-22(25-10-15)31-13-26-27-28-31/h2-5,10,13,19-21,32H,6-9,11-12H2,1H3/t19?,20?,21-/m0/s1
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n/an/a 56n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))		BDBM50442595
PNG
(CHEMBL2441408 | US9056859, 12)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCCc3c2)CC1
Show InChI InChI=1S/C24H26N6O3/c31-23(16-18-1-4-21(5-2-18)30-17-25-26-27-30)29-12-10-28(11-13-29)9-7-19-3-6-22-20(15-19)8-14-33-24(22)32/h1-6,15,17H,7-14,16H2
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n/an/a 61n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))		BDBM162873
PNG
(US9056859, 96)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)C1CCc2nc(ccc12)-n1cnnn1
Show InChI InChI=1S/C25H27N7O3/c1-16-17(2-3-20-21(16)14-35-25(20)34)8-9-30-10-12-31(13-11-30)24(33)19-4-6-22-18(19)5-7-23(27-22)32-15-26-28-29-32/h2-3,5,7,15,19H,4,6,8-14H2,1H3
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n/an/a 61n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))		BDBM162869
PNG
(US9056859, 39)
Show SMILES Fc1cc(CCN2CCN(CC2)C(=O)Cc2ccc(cc2)-n2cnnn2)ccc1[N+]#[C-]
Show InChI InChI=1S/C22H22FN7O/c1-24-21-7-4-18(14-20(21)23)8-9-28-10-12-29(13-11-28)22(31)15-17-2-5-19(6-3-17)30-16-25-26-27-30/h2-7,14,16H,8-13,15H2
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n/an/a 63n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))		BDBM50442600
PNG
(CHEMBL2441437 | US9056859, 1)
Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN(CCc2ccc3C(=O)OCc3c2)CC1
Show InChI InChI=1S/C23H24N6O3/c30-22(14-17-1-4-20(5-2-17)29-16-24-25-26-29)28-11-9-27(10-12-28)8-7-18-3-6-21-19(13-18)15-32-23(21)31/h1-6,13,16H,7-12,14-15H2
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n/an/a 65n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))		BDBM162871
PNG
(US9056859, 59)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN(CC1)C(=O)Cc1cc(F)c(cc1F)C#N
Show InChI InChI=1S/C24H23F2N3O3/c1-15-16(2-3-19-20(15)14-32-24(19)31)4-5-28-6-8-29(9-7-28)23(30)12-17-10-22(26)18(13-27)11-21(17)25/h2-3,10-11H,4-9,12,14H2,1H3
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n/an/a 94n/an/an/an/a7.4n/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Rattus norvegicus (Rat))		BDBM162875
PNG
(US9056859, 177)
Show SMILES C[C@H]1Cc2cc(CCN3CCN(CC3)C(=O)C3CCc4nc(ccc34)-n3cnnn3)ccc2C(=O)O1 |r|
Show InChI InChI=1S/C26H29N7O3/c1-17-14-19-15-18(2-3-20(19)26(35)36-17)8-9-31-10-12-32(13-11-31)25(34)22-4-6-23-21(22)5-7-24(28-23)33-16-27-29-30-33/h2-3,5,7,15-17,22H,4,6,8-14H2,1H3/t17-,22?/m0/s1
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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 (ROMKI) currents was examined by whole cell voltage clamp (Hamill et. al. Pfluegers Archives 391:85-100 (1981)) using the IonWorks Qu...

US Patent US9056859 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XS0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%