BindingDB logo
myBDB logout

USPatent US9850245

Compile data set for download or QSAR
Found 24 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363473
PNG
((S)-9-(2-(6-(1H-tetrazol-1- yl)pyridin-3-yl)-2-hyd...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(C[C@@H](O)c3ccc(nc3)-n3cnnn3)CC2)C1=O |r,t:1|
Show InChI InChI=1S/C21H25N7O5/c1-14-16(12-32-19(14)30)27-8-9-33-21(20(27)31)4-6-26(7-5-21)11-17(29)15-2-3-18(22-10-15)28-13-23-24-25-28/h2-3,10,13,17,29H,4-9,11-12H2,1H3/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363475
PNG
(9-(2-(4-(1H-tetrazol-1- yl)phenyl)-2-hydroxyethyl)...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(cc3)-n3cnnn3)CC2)C1=O |t:1|
Show InChI InChI=1S/C22H26N6O5/c1-15-18(13-32-20(15)30)27-10-11-33-22(21(27)31)6-8-26(9-7-22)12-19(29)16-2-4-17(5-3-16)28-14-23-24-25-28/h2-5,14,19,29H,6-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363474
PNG
((R)-9-(2-hydroxy-2-(4-methyl-1- oxo-1,3-dihydroiso...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O |r,t:1|
Show InChI InChI=1S/C24H28N2O7/c1-14-16(3-4-17-18(14)12-31-22(17)29)20(27)11-25-7-5-24(6-8-25)23(30)26(9-10-33-24)19-13-32-21(28)15(19)2/h3-4,20,27H,5-13H2,1-2H3/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363472
PNG
(US9850245, Example 6A)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(C[C@@H](F)c3ccc(nc3)-n3cnnn3)CC2)C1=O |r,t:1|
Show InChI InChI=1S/C21H24FN7O4/c1-14-17(12-32-19(14)30)28-8-9-33-21(20(28)31)4-6-27(7-5-21)11-16(22)15-2-3-18(23-10-15)29-13-24-25-26-29/h2-3,10,13,16H,4-9,11-12H2,1H3/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363493
PNG
(Typical Example for Hydroamination | US9850245, Ex...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CCc3ccc(nn3)-n3cnnn3)CC2)C1=O |t:1|
Show InChI InChI=1S/C20H24N8O4/c1-14-16(12-31-18(14)29)27-10-11-32-20(19(27)30)5-8-26(9-6-20)7-4-15-2-3-17(23-22-15)28-13-21-24-25-28/h2-3,13H,4-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363483
PNG
(4-(9-(2-hydroxy-2-(2-methyl-6- (1H-tetrazol-1-yl)p...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(nc3C)-n3cnnn3)CC2)C1 |t:1|
Show InChI InChI=1S/C22H29N7O4/c1-15-18(12-32-21(15)31)28-9-10-33-22(13-28)5-7-27(8-6-22)11-19(30)17-3-4-20(24-16(17)2)29-14-23-25-26-29/h3-4,14,19,30H,5-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363477
PNG
(9-(2-(5-(1H-tetrazol-1- yl)pyrazin-2-yl)-2- hydrox...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3cnc(cn3)-n3cnnn3)CC2)C1=O |t:1|
Show InChI InChI=1S/C20H24N8O5/c1-13-15(11-32-18(13)30)27-6-7-33-20(19(27)31)2-4-26(5-3-20)10-16(29)14-8-22-17(9-21-14)28-12-23-24-25-28/h8-9,12,16,29H,2-7,10-11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363488
PNG
(9-(2-hydroxy-2-(2-methyl-6-(1H- tetrazol-1-yl)pyri...)
Show SMILES CC1=C(COC1=O)N1CCCOC2(CCN(CC(O)c3ccc(nc3C)-n3cnnn3)CC2)C1=O |t:1|
Show InChI InChI=1S/C23H29N7O5/c1-15-18(13-34-21(15)32)29-8-3-11-35-23(22(29)33)6-9-28(10-7-23)12-19(31)17-4-5-20(25-16(17)2)30-14-24-26-27-30/h4-5,14,19,31H,3,6-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363487
PNG
((1R,2'R,5S)-8-((R)-2-hydroxy-2- (4-methyl-1-oxo-1,...)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1C2CCC1CC1(C2)OCCN(C2=CC(=O)OC2)C1=O |r,t:30,TLB:32:20:14:16.17,13:14:19.20.21:16.17,THB:22:20:14:16.17|
Show InChI InChI=1S/C25H28N2O7/c1-14-18(4-5-19-20(14)13-33-23(19)30)21(28)11-27-15-2-3-16(27)10-25(9-15)24(31)26(6-7-34-25)17-8-22(29)32-12-17/h4-5,8,15-16,21,28H,2-3,6-7,9-13H2,1H3/t15?,16?,21-,25?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 13.4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363489
PNG
(9-(2-(6-(1H-tetrazol-1- yl)pyridazin-3-yl)-2- hydr...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(nn3)-n3cnnn3)CC2)C1=O |t:1|
Show InChI InChI=1S/C20H24N8O5/c1-13-15(11-32-18(13)30)27-8-9-33-20(19(27)31)4-6-26(7-5-20)10-16(29)14-2-3-17(23-22-14)28-12-21-24-25-28/h2-3,12,16,29H,4-11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363485
PNG
(3-chloro-4-(9-(2-hydroxy-2-(2- methyl-6-(1H-tetraz...)
Show SMILES Cc1nc(ccc1C(O)CN1CCC2(CC1)CN(CCO2)C1=C(Cl)C(=O)OC1)-n1cnnn1 |c:24|
Show InChI InChI=1S/C21H26ClN7O4/c1-14-15(2-3-18(24-14)29-13-23-25-26-29)17(30)10-27-6-4-21(5-7-27)12-28(8-9-33-21)16-11-32-20(31)19(16)22/h2-3,13,17,30H,4-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363492
PNG
((R)-9-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisob...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CCc3ccc4C(=O)OCc4c3C)CC2)C1=O |t:1|
Show InChI InChI=1S/C24H28N2O6/c1-15-17(3-4-18-19(15)13-30-22(18)28)5-8-25-9-6-24(7-10-25)23(29)26(11-12-32-24)20-14-31-21(27)16(20)2/h3-4H,5-14H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363489
PNG
(9-(2-(6-(1H-tetrazol-1- yl)pyridazin-3-yl)-2- hydr...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(nn3)-n3cnnn3)CC2)C1=O |t:1|
Show InChI InChI=1S/C20H24N8O5/c1-13-15(11-32-18(13)30)27-8-9-33-20(19(27)31)4-6-26(7-5-20)10-16(29)14-2-3-17(23-22-14)28-12-21-24-25-28/h2-3,12,16,29H,4-11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363245
PNG
(US9850245, Example 2A)
Show SMILES CC1=C(COC1=O)N1CCNC2(CCN(CC(O)c3ccc(nc3C)-n3cnnn3)CC2)C1=O |t:1|
Show InChI InChI=1S/C22H28N8O4/c1-14-17(12-34-20(14)32)29-10-7-23-22(21(29)33)5-8-28(9-6-22)11-18(31)16-3-4-19(25-15(16)2)30-13-24-26-27-30/h3-4,13,18,23,31H,5-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 26n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363486
PNG
((R)-9-(2-hydroxy-2-(4-methyl-1- oxo-1,3-dihydroiso...)
Show SMILES CN1CCN(C2=C(C)C(=O)OC2)C(=O)C11CCN(C[C@H](O)c2ccc3C(=O)OCc3c2C)CC1 |r,c:5|
Show InChI InChI=1S/C25H31N3O6/c1-15-17(4-5-18-19(15)13-33-23(18)31)21(29)12-27-8-6-25(7-9-27)24(32)28(11-10-26(25)3)20-14-34-22(30)16(20)2/h4-5,21,29H,6-14H2,1-3H3/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 27n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363483
PNG
(4-(9-(2-hydroxy-2-(2-methyl-6- (1H-tetrazol-1-yl)p...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3ccc(nc3C)-n3cnnn3)CC2)C1 |t:1|
Show InChI InChI=1S/C22H29N7O4/c1-15-18(12-32-21(15)31)28-9-10-33-22(13-28)5-7-27(8-6-22)11-19(30)17-3-4-20(24-16(17)2)29-14-23-25-26-29/h3-4,14,19,30H,5-13H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 29n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363480
PNG
(4-(9-(2-hydroxy-2-(2-methyl-6- (1H-tetrazol-1-yl)p...)
Show SMILES Cc1nc(ccc1C(O)CN1CCC2(CC1)CN(CCO2)C1=CC(=O)OC1)-n1cnnn1 |t:24|
Show InChI InChI=1S/C21H27N7O4/c1-15-17(2-3-19(23-15)28-14-22-24-25-28)18(29)11-26-6-4-21(5-7-26)13-27(8-9-32-21)16-10-20(30)31-12-16/h2-3,10,14,18,29H,4-9,11-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 37n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363471
PNG
(US9850245, Example 4A)
Show SMILES CC1=C(COC1=O)N1CCNC2(CCN(C[C@H](O)c3ccc(nc3)-n3cnnn3)CC2)C1=O |r,t:1|
Show InChI InChI=1S/C21H26N8O4/c1-14-16(12-33-19(14)31)28-9-6-23-21(20(28)32)4-7-27(8-5-21)11-17(30)15-2-3-18(22-10-15)29-13-24-25-26-29/h2-3,10,13,17,23,30H,4-9,11-12H2,1H3/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363491
PNG
(9-(2-(2-(1H-tetrazol-1- yl)pyrimidin-5-yl)-2- hydr...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(CC(O)c3cnc(nc3)-n3cnnn3)CC2)C1=O |t:1|
Show InChI InChI=1S/C20H24N8O5/c1-13-15(11-32-17(13)30)27-6-7-33-20(18(27)31)2-4-26(5-3-20)10-16(29)14-8-21-19(22-9-14)28-12-23-24-25-28/h8-9,12,16,29H,2-7,10-11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 51n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363478
PNG
((R)-4-(9-(2-(6-(1H-tetrazol-1- yl)pyridin-3-yl)-2-...)
Show SMILES O[C@@H](CN1CCC2(CC1)CN(CCO2)C1=CC(=O)OC1)c1ccc(nc1)-n1cnnn1 |r,t:16|
Show InChI InChI=1S/C20H25N7O4/c28-17(15-1-2-18(21-10-15)27-14-22-23-24-27)11-25-5-3-20(4-6-25)13-26(7-8-31-20)16-9-19(29)30-12-16/h1-2,9-10,14,17,28H,3-8,11-13H2/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 56n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363480
PNG
(4-(9-(2-hydroxy-2-(2-methyl-6- (1H-tetrazol-1-yl)p...)
Show SMILES Cc1nc(ccc1C(O)CN1CCC2(CC1)CN(CCO2)C1=CC(=O)OC1)-n1cnnn1 |t:24|
Show InChI InChI=1S/C21H27N7O4/c1-15-17(2-3-19(23-15)28-14-22-24-25-28)18(29)11-26-6-4-21(5-7-26)13-27(8-9-32-21)16-10-20(30)31-12-16/h2-3,10,14,18,29H,4-9,11-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 71n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363482
PNG
((R)-5-(1-hydroxy-2-(4-(4-methyl- 5-oxo-2,5-dihydro...)
Show SMILES CC1=C(COC1=O)N1CCOC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1 |r,t:1|
Show InChI InChI=1S/C24H30N2O6/c1-15-17(3-4-18-19(15)12-30-23(18)29)21(27)11-25-7-5-24(6-8-25)14-26(9-10-32-24)20-13-31-22(28)16(20)2/h3-4,21,27H,5-14H2,1-2H3/t21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 77n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363479
PNG
((S)-4-(9-(2-(6-(1H-tetrazol-1- yl)pyridin-3-yl)-2-...)
Show SMILES O[C@H](CN1CCC2(CC1)CN(CCO2)C1=CC(=O)OC1)c1ccc(nc1)-n1cnnn1 |r,t:16|
Show InChI InChI=1S/C20H25N7O4/c28-17(15-1-2-18(21-10-15)27-14-22-23-24-27)11-25-5-3-20(4-6-25)13-26(7-8-31-20)16-9-19(29)30-12-16/h1-2,9-10,14,17,28H,3-8,11-13H2/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))		BDBM363476
PNG
((R)-8-(2-hydroxy-2-(4-methyl-1- oxo-1,3-dihydroiso...)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CN(C(=O)O2)C2=CC(=O)OC2)CC1 |r,t:26|
Show InChI InChI=1S/C22H24N2O7/c1-13-15(2-3-16-17(13)11-30-20(16)27)18(25)9-23-6-4-22(5-7-23)12-24(21(28)31-22)14-8-19(26)29-10-14/h2-3,8,18,25H,4-7,9-12H2,1H3/t18-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 320n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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

US Patent US9850245 (2017)


BindingDB Entry DOI: 10.7270/Q2H70J3N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%