BindingDB logo
myBDB logout

Patent code US9604998

Compile Data Set for Download or QSAR
Found 109 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)
BDBM312670
PNG
(US9604998, Example 69)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C26H28N2O5/c1-16-17(2-5-22-23(16)15-33-26(22)30)6-7-27-8-9-28-12-24(31-14-20(28)11-27)18-3-4-21-19(10-18)13-32-25(21)29/h2-5,10,20,24H,6-9,11-15H2,1H3/t20-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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
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 US9604998 (2017)

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


(Homo sapiens)
BDBM312606
PNG
(US9604998, Example 12)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C26H28N2O6/c1-15-19(4-5-21-22(15)14-34-26(21)31)23(29)10-27-6-7-28-11-24(32-13-18(28)9-27)16-2-3-20-17(8-16)12-33-25(20)30/h2-5,8,18,23-24,29H,6-7,9-14H2,1H3/t18-,23+,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312671
PNG
(US9604998, Example 70)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C26H28N2O5/c1-16-17(2-5-22-23(16)15-33-26(22)30)6-7-27-8-9-28-12-24(31-14-20(28)11-27)18-3-4-21-19(10-18)13-32-25(21)29/h2-5,10,20,24H,6-9,11-15H2,1H3/t20-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312664
PNG
(US9604998, Example 64)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(CCc3ccc4C(=O)OCc4c3)C[C@H]2CO1
Show InChI InChI=1S/C26H28N2O5/c1-16-20(4-5-22-23(16)15-33-26(22)30)24-12-28-9-8-27(11-19(28)14-31-24)7-6-17-2-3-21-18(10-17)13-32-25(21)29/h2-5,10,19,24H,6-9,11-15H2,1H3/t19-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312662
PNG
(US9604998, Example 62)
Show SMILES O=C1OCc2cc(CCN3CCN4C[C@H](OC[C@@H]4C3)c3ccc4C(=O)OCc4c3)ccc12
Show InChI InChI=1S/C25H26N2O5/c28-24-21-3-1-16(9-18(21)13-31-24)5-6-26-7-8-27-12-23(30-15-20(27)11-26)17-2-4-22-19(10-17)14-32-25(22)29/h1-4,9-10,20,23H,5-8,11-15H2/t20-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312663
PNG
(US9604998, Example 63)
Show SMILES O=C1OCc2cc(CCN3CCN4C[C@@H](OC[C@@H]4C3)c3ccc4C(=O)OCc4c3)ccc12
Show InChI InChI=1S/C25H26N2O5/c28-24-21-3-1-16(9-18(21)13-31-24)5-6-26-7-8-27-12-23(30-15-20(27)11-26)17-2-4-22-19(10-17)14-32-25(22)29/h1-4,9-10,20,23H,5-8,11-15H2/t20-,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312659
PNG
(US9604998, Example 59)
Show SMILES COc1cc(CCN2CCN3C[C@@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2)ccc1C#N
Show InChI InChI=1S/C25H27N3O4/c1-30-23-10-17(2-3-19(23)12-26)6-7-27-8-9-28-14-24(31-16-21(28)13-27)18-4-5-22-20(11-18)15-32-25(22)29/h2-5,10-11,21,24H,6-9,13-16H2,1H3/t21-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 40n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312689
PNG
(US9604998, Example 88)
Show SMILES C[C@H]1Cc2cc(CCN3CCN4C[C@H](OC[C@@H]4C3)c3ccc(F)c([N+]#[C-])c3C)ccc2C(=O)O1
Show InChI InChI=1S/C27H30FN3O3/c1-17-12-20-13-19(4-5-23(20)27(32)34-17)8-9-30-10-11-31-15-25(33-16-21(31)14-30)22-6-7-24(28)26(29-3)18(22)2/h4-7,13,17,21,25H,8-12,14-16H2,1-2H3/t17-,21-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312688
PNG
(US9604998, Example 87)
Show SMILES C[C@@H]1Cc2cc(CCN3CCN4C[C@H](OC[C@@H]4C3)c3ccc4C(=O)OCc4c3C)ccc2C(=O)O1
Show InChI InChI=1S/C28H32N2O5/c1-17-11-20-12-19(3-4-23(20)28(32)35-17)7-8-29-9-10-30-14-26(33-15-21(30)13-29)22-5-6-24-25(18(22)2)16-34-27(24)31/h3-6,12,17,21,26H,7-11,13-16H2,1-2H3/t17-,21+,26+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312710
PNG
(US9604998, Example 109)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(CC3OCCc4c5COC(=O)c5ccc34)C[C@H]2CO1
Show InChI InChI=1S/C28H30N2O6/c1-16-18(2-4-21-23(16)14-35-27(21)31)26-12-30-8-7-29(10-17(30)13-34-26)11-25-20-3-5-22-24(15-36-28(22)32)19(20)6-9-33-25/h2-5,17,25-26H,6-15H2,1H3/t17-,25?,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312681
PNG
(US9604998, Example 80)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C
Show InChI InChI=1S/C26H28FN3O3/c1-16-18(4-5-21-22(16)15-33-26(21)31)8-9-29-10-11-30-13-24(32-14-19(30)12-29)20-6-7-23(27)25(28-3)17(20)2/h4-7,19,24H,8-15H2,1-2H3/t19-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312638
PNG
(US9604998, Example 38 | US9604998, Example 49)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(CC(O)c3cc(F)c(C#N)c(F)c3)C[C@H]2CO1
Show InChI InChI=1S/C25H25F2N3O4/c1-14-17(2-3-18-20(14)13-34-25(18)32)24-11-30-5-4-29(9-16(30)12-33-24)10-23(31)15-6-21(26)19(8-28)22(27)7-15/h2-3,6-7,16,23-24,31H,4-5,9-13H2,1H3/t16-,23?,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312685
PNG
(US9604998, Example 84)
Show SMILES COc1cc(F)c(CCN2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2C)cc1C#N
Show InChI InChI=1S/C26H28FN3O4/c1-16-20(3-4-21-22(16)15-34-26(21)31)25-13-30-8-7-29(12-19(30)14-33-25)6-5-17-9-18(11-28)24(32-2)10-23(17)27/h3-4,9-10,19,25H,5-8,12-15H2,1-2H3/t19-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312597
PNG
(US9604998, Example 3)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C27H30N2O6/c1-15-18(3-5-20-22(15)13-34-26(20)31)24(30)10-28-7-8-29-11-25(33-12-17(29)9-28)19-4-6-21-23(16(19)2)14-35-27(21)32/h3-6,17,24-25,30H,7-14H2,1-2H3/t17-,24-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312707
PNG
(US9604998, Example 106)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(CCc3ccc4C(=O)OCc4c3)C[C@@H]2CN1
Show InChI InChI=1S/C25H27FN4O2/c1-16-20(5-6-22(26)24(16)27-2)23-14-30-10-9-29(13-19(30)12-28-23)8-7-17-3-4-21-18(11-17)15-32-25(21)31/h3-6,11,19,23,28H,7-10,12-15H2,1H3/t19-,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312704
PNG
(US9604998, Example 103)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(CCc3ccc4C(=O)OCc4c3)C[C@H]2CN1
Show InChI InChI=1S/C25H27FN4O2/c1-16-20(5-6-22(26)24(16)27-2)23-14-30-10-9-29(13-19(30)12-28-23)8-7-17-3-4-21-18(11-17)15-32-25(21)31/h3-6,11,19,23,28H,7-10,12-15H2,1H3/t19-,23+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312605
PNG
(US9604998, Example 11)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C26H28N2O6/c1-15-19(4-5-21-22(15)14-34-26(21)31)23(29)10-27-6-7-28-11-24(32-13-18(28)9-27)16-2-3-20-17(8-16)12-33-25(20)30/h2-5,8,18,23-24,29H,6-7,9-14H2,1H3/t18-,23-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312680
PNG
(US9604998, Example 79)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C
Show InChI InChI=1S/C26H28FN3O3/c1-16-18(4-5-21-22(16)15-33-26(21)31)8-9-29-10-11-30-13-24(32-14-19(30)12-29)20-6-7-23(27)25(28-3)17(20)2/h4-7,19,24H,8-15H2,1-2H3/t19-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312676
PNG
(US9604998, Example 75)
Show SMILES COc1cc(ccc1C#N)[C@H]1CN2CCN(CCc3ccc4C(=O)OCc4c3C)C[C@@H]2CO1
Show InChI InChI=1S/C26H29N3O4/c1-17-18(5-6-22-23(17)16-33-26(22)30)7-8-28-9-10-29-14-25(32-15-21(29)13-28)19-3-4-20(12-27)24(11-19)31-2/h3-6,11,21,25H,7-10,13-16H2,1-2H3/t21-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312667
PNG
(US9604998, Example 67)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@@H](OC[C@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C27H30N2O5/c1-16-18(3-4-21-23(16)14-33-26(21)30)7-8-28-9-10-29-12-25(32-13-19(29)11-28)20-5-6-22-24(17(20)2)15-34-27(22)31/h3-6,19,25H,7-15H2,1-2H3/t19-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312679
PNG
(US9604998, Example 78)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@H](OC[C@H]2C1)c1ccc(F)c(C#N)c1C
Show InChI InChI=1S/C26H28FN3O3/c1-16-18(3-4-21-23(16)15-33-26(21)31)7-8-29-9-10-30-13-25(32-14-19(30)12-29)20-5-6-24(27)22(11-28)17(20)2/h3-6,19,25H,7-10,12-15H2,1-2H3/t19-,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312678
PNG
(US9604998, Example 77)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@@H](OC[C@H]2C1)c1ccc(F)c(C#N)c1C
Show InChI InChI=1S/C26H28FN3O3/c1-16-18(3-4-21-23(16)15-33-26(21)31)7-8-29-9-10-30-13-25(32-14-19(30)12-29)20-5-6-24(27)22(11-28)17(20)2/h3-6,19,25H,7-10,12-15H2,1-2H3/t19-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312656
PNG
(US9604998, Example 56)
Show SMILES COc1cc(CCN2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2C)ccc1C#N
Show InChI InChI=1S/C26H29N3O4/c1-17-21(5-6-22-23(17)16-33-26(22)30)25-14-29-10-9-28(13-20(29)15-32-25)8-7-18-3-4-19(12-27)24(11-18)31-2/h3-6,11,20,25H,7-10,13-16H2,1-2H3/t20-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312693
PNG
(US9604998, Example 92)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(CCc3ccc(nc3)-n3cnnn3)C[C@H]2CO1
Show InChI InChI=1S/C23H25FN8O/c1-16-19(4-5-20(24)23(16)25-2)21-13-31-10-9-30(12-18(31)14-33-21)8-7-17-3-6-22(26-11-17)32-15-27-28-29-32/h3-6,11,15,18,21H,7-10,12-14H2,1H3/t18-,21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312596
PNG
(US9604998, Example 2)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H](O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C27H30N2O6/c1-15-18(3-5-20-22(15)13-34-26(20)31)24(30)10-28-7-8-29-11-25(33-12-17(29)9-28)19-4-6-21-23(16(19)2)14-35-27(21)32/h3-6,17,24-25,30H,7-14H2,1-2H3/t17-,24+,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312598
PNG
(US9604998, Example 4)
Show SMILES COc1cc(ccc1C#N)[C@H]1CN2CCN(CC(O)c3ccc4C(=O)OCc4c3C)C[C@H]2CO1
Show InChI InChI=1S/C26H29N3O5/c1-16-20(5-6-21-22(16)15-34-26(21)31)23(30)12-28-7-8-29-13-25(33-14-19(29)11-28)17-3-4-18(10-27)24(9-17)32-2/h3-6,9,19,23,25,30H,7-8,11-15H2,1-2H3/t19-,23?,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312610
PNG
(US9604998, Example 16)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(CC(O)c3ccc(nc3)-n3cnnn3)C[C@H]2CO1
Show InChI InChI=1S/C23H25FN8O2/c1-15-18(4-5-19(24)23(15)25-2)21-12-31-8-7-30(10-17(31)13-34-21)11-20(33)16-3-6-22(26-9-16)32-14-27-28-29-32/h3-6,9,14,17,20-21,33H,7-8,10-13H2,1H3/t17-,20?,21-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312694
PNG
(US9604998, Example 93)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(CCc3ccc(nc3)-n3cnnn3)C[C@H]2CO1
Show InChI InChI=1S/C23H25FN8O/c1-16-19(4-5-20(24)23(16)25-2)21-13-31-10-9-30(12-18(31)14-33-21)8-7-17-3-6-22(26-11-17)32-15-27-28-29-32/h3-6,11,15,18,21H,7-10,12-14H2,1H3/t18-,21+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312697
PNG
(US9604998, Example 96)
Show SMILES COc1c(CCN2CCN3C[C@@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2C)ccc(C#N)c1F
Show InChI InChI=1S/C26H28FN3O4/c1-16-20(5-6-21-22(16)15-34-26(21)31)23-13-30-10-9-29(12-19(30)14-33-23)8-7-17-3-4-18(11-28)24(27)25(17)32-2/h3-6,19,23H,7-10,12-15H2,1-2H3/t19-,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312642
PNG
(US9604998, Example 42 | US9604998, Example 43)
Show SMILES Cc1cc2C(=O)OCc2cc1C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C27H30N2O6/c1-15-7-22-17(12-34-27(22)32)8-21(15)24(30)10-28-5-6-29-11-25(33-13-18(29)9-28)19-3-4-20-23(16(19)2)14-35-26(20)31/h3-4,7-8,18,24-25,30H,5-6,9-14H2,1-2H3/t18-,24?,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312675
PNG
(US9604998, Example 74)
Show SMILES COc1cc(ccc1C#N)[C@H]1CN2CCN(CCc3ccc4C(=O)OCc4c3C)C[C@H]2CO1
Show InChI InChI=1S/C26H29N3O4/c1-17-18(5-6-22-23(17)16-33-26(22)30)7-8-28-9-10-29-14-25(32-15-21(29)13-28)19-3-4-20(12-27)24(11-19)31-2/h3-6,11,21,25H,7-10,13-16H2,1-2H3/t21-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312687
PNG
(US9604998, Example 86)
Show SMILES C[C@H]1Cc2cc(CCN3CCN4C[C@H](OC[C@@H]4C3)c3ccc4C(=O)OCc4c3C)ccc2C(=O)O1
Show InChI InChI=1S/C28H32N2O5/c1-17-11-20-12-19(3-4-23(20)28(32)35-17)7-8-29-9-10-30-14-26(33-15-21(30)13-29)22-5-6-24-25(18(22)2)16-34-27(24)31/h3-6,12,17,21,26H,7-11,13-16H2,1-2H3/t17-,21-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312653
PNG
(US9604998, Example 53)
Show SMILES COc1cc(cc(F)c1C#N)[C@H]1CN2CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)C[C@@H]2CO1
Show InChI InChI=1S/C26H28FN3O5/c1-15-18(3-4-19-21(15)14-35-26(19)32)23(31)11-29-5-6-30-12-25(34-13-17(30)10-29)16-7-22(27)20(9-28)24(8-16)33-2/h3-4,7-8,17,23,25,31H,5-6,10-14H2,1-2H3/t17-,23+,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312683
PNG
(US9604998, Example 82)
Show SMILES COc1c(C)c(CCN2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2C)ccc1C#N
Show InChI InChI=1S/C27H31N3O4/c1-17-19(4-5-20(12-28)26(17)32-3)8-9-29-10-11-30-14-25(33-15-21(30)13-29)22-6-7-23-24(18(22)2)16-34-27(23)31/h4-7,21,25H,8-11,13-16H2,1-3H3/t21-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312623
PNG
(US9604998, Example 29)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN2C[C@H](OC[C@H]2C1)c1ccc([N+]#[C-])c(F)c1
Show InChI InChI=1S/C25H26FN3O4/c1-15-18(4-5-19-20(15)14-33-25(19)31)23(30)11-28-7-8-29-12-24(32-13-17(29)10-28)16-3-6-22(27-2)21(26)9-16/h3-6,9,17,23-24,30H,7-8,10-14H2,1H3/t17-,23+,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312622
PNG
(US9604998, Example 28)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN2C[C@@H](OC[C@H]2C1)c1ccc([N+]#[C-])c(F)c1
Show InChI InChI=1S/C25H26FN3O4/c1-15-18(4-5-19-20(15)14-33-25(19)31)23(30)11-28-7-8-29-12-24(32-13-17(29)10-28)16-3-6-22(27-2)21(26)9-16/h3-6,9,17,23-24,30H,7-8,10-14H2,1H3/t17-,23+,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312686
PNG
(US9604998, Example 85)
Show SMILES COc1cc(CCN2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)O[C@@H](C)Cc3c2)ccc1C#N
Show InChI InChI=1S/C27H31N3O4/c1-18-11-22-13-20(5-6-24(22)27(31)34-18)26-16-30-10-9-29(15-23(30)17-33-26)8-7-19-3-4-21(14-28)25(12-19)32-2/h3-6,12-13,18,23,26H,7-11,15-17H2,1-2H3/t18-,23-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312684
PNG
(US9604998, Example 83)
Show SMILES CCOc1cc(CCN2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2C)ccc1C#N
Show InChI InChI=1S/C27H31N3O4/c1-3-32-25-12-19(4-5-20(25)13-28)8-9-29-10-11-30-15-26(33-16-21(30)14-29)22-6-7-23-24(18(22)2)17-34-27(23)31/h4-7,12,21,26H,3,8-11,14-17H2,1-2H3/t21-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312655
PNG
(US9604998, Example 55)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN2C[C@@H](SC[C@@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C27H30N2O5S/c1-15-18(3-5-20-22(15)12-33-26(20)31)24(30)10-28-7-8-29-11-25(35-14-17(29)9-28)19-4-6-21-23(16(19)2)13-34-27(21)32/h3-6,17,24-25,30H,7-14H2,1-2H3/t17-,24-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312657
PNG
(US9604998, Example 57)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C27H30N2O5/c1-16-18(3-4-21-23(16)14-33-26(21)30)7-8-28-9-10-29-12-25(32-13-19(29)11-28)20-5-6-22-24(17(20)2)15-34-27(22)31/h3-6,19,25H,7-15H2,1-2H3/t19-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312699
PNG
(US9604998, Example 98)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(CCc3cc(F)c(C#N)c(F)c3)C[C@H]2CO1
Show InChI InChI=1S/C25H25F2N3O3/c1-15-18(2-3-19-21(15)14-33-25(19)31)24-12-30-7-6-29(11-17(30)13-32-24)5-4-16-8-22(26)20(10-28)23(27)9-16/h2-3,8-9,17,24H,4-7,11-14H2,1H3/t17-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312677
PNG
(US9604998, Example 76)
Show SMILES COc1cc(ccc1C#N)[C@@H]1CN2CCN(CCc3ccc4C(=O)OCc4c3C)C[C@@H]2CO1
Show InChI InChI=1S/C26H29N3O4/c1-17-18(5-6-22-23(17)16-33-26(22)30)7-8-28-9-10-29-14-25(32-15-21(29)13-28)19-3-4-20(12-27)24(11-19)31-2/h3-6,11,21,25H,7-10,13-16H2,1-2H3/t21-,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312652
PNG
(US9604998, Example 52)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN2C[C@H](OC[C@@H]2C1)c1cc(F)c([N+]#[C-])c(F)c1
Show InChI InChI=1S/C25H25F2N3O4/c1-14-17(3-4-18-19(14)13-34-25(18)32)22(31)10-29-5-6-30-11-23(33-12-16(30)9-29)15-7-20(26)24(28-2)21(27)8-15/h3-4,7-8,16,22-23,31H,5-6,9-13H2,1H3/t16-,22-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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
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 US9604998 (2017)

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


(Homo sapiens)
BDBM312709
PNG
(US9604998, Example 108)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(C[C@H](O)c3ccc4C(=O)OCc4c3)C[C@@H]2CN1
Show InChI InChI=1S/C25H27FN4O3/c1-15-19(5-6-21(26)24(15)27-2)22-12-30-8-7-29(11-18(30)10-28-22)13-23(31)16-3-4-20-17(9-16)14-33-25(20)32/h3-6,9,18,22-23,28,31H,7-8,10-14H2,1H3/t18-,22+,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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
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 US9604998 (2017)

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


(Homo sapiens)
BDBM312702
PNG
(US9604998, Example 101)
Show SMILES COc1cc(CCN2CCN3C[C@H](NC[C@@H]3C2)c2ccc3C(=O)OCc3c2C)ccc1C#N
Show InChI InChI=1S/C26H30N4O3/c1-17-21(5-6-22-23(17)16-33-26(22)31)24-15-30-10-9-29(14-20(30)13-28-24)8-7-18-3-4-19(12-27)25(11-18)32-2/h3-6,11,20,24,28H,7-10,13-16H2,1-2H3/t20-,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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
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 US9604998 (2017)

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


(Homo sapiens)
BDBM312611
PNG
(US9604998, Example 17 | US9604998, Example 18)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(CC(O)c3ccc(nc3)-n3cnnn3)C[C@H]2CO1
Show InChI InChI=1S/C23H25FN8O2/c1-15-18(4-5-19(24)23(15)25-2)21-12-31-8-7-30(10-17(31)13-34-21)11-20(33)16-3-6-22(26-9-16)32-14-27-28-29-32/h3-6,9,14,17,20-21,33H,7-8,10-13H2,1H3/t17-,20?,21+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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
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 US9604998 (2017)

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


(Homo sapiens)
BDBM312599
PNG
(US9604998, Example 5)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c(C#N)c1C
Show InChI InChI=1S/C26H28FN3O4/c1-15-18(3-4-20-22(15)14-34-26(20)32)24(31)11-29-7-8-30-12-25(33-13-17(30)10-29)19-5-6-23(27)21(9-28)16(19)2/h3-6,17,24-25,31H,7-8,10-14H2,1-2H3/t17-,24-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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
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 US9604998 (2017)

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


(Homo sapiens)
BDBM312690
PNG
(US9604998, Example 89)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1Cl
Show InChI InChI=1S/C26H27ClN2O5/c1-15-16(2-3-18-21(15)13-33-25(18)30)6-7-28-8-9-29-11-23(32-12-17(29)10-28)20-5-4-19-22(24(20)27)14-34-26(19)31/h2-5,17,23H,6-14H2,1H3/t17-,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
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
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 US9604998 (2017)

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


(Homo sapiens)
BDBM312665
PNG
(US9604998, Example 65)
Show SMILES Cc1c2COC(=O)c2ccc1[C@H]1CN2CCN(CCc3ccc4C(=O)OCc4c3)C[C@H]2CO1
Show InChI InChI=1S/C26H28N2O5/c1-16-20(4-5-22-23(16)15-33-26(22)30)24-12-28-9-8-27(11-19(28)14-31-24)7-6-17-2-3-21-18(10-17)13-32-25(21)29/h2-5,10,19,24H,6-9,11-15H2,1H3/t19-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312595
PNG
(US9604998, Example 1)
Show SMILES COc1cc(ccc1C#N)[C@H]1CN2CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)C[C@@H]2CO1
Show InChI InChI=1S/C26H29N3O5/c1-16-20(5-6-21-22(16)15-34-26(21)31)23(30)12-28-7-8-29-13-25(33-14-19(29)11-28)17-3-4-18(10-27)24(9-17)32-2/h3-6,9,19,23,25,30H,7-8,11-15H2,1-2H3/t19-,23+,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312601
PNG
(US9604998, Example 7)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN2C[C@@H](OC[C@H]2C1)c1ccc(F)c(C#N)c1C
Show InChI InChI=1S/C26H28FN3O4/c1-15-18(3-4-20-22(15)14-34-26(20)32)24(31)11-29-7-8-30-12-25(33-13-17(30)10-29)19-5-6-23(27)21(9-28)16(19)2/h3-6,17,24-25,31H,7-8,10-14H2,1-2H3/t17-,24+,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312696
PNG
(US9604998, Example 95)
Show SMILES COc1c(CCN2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2C)ccc(C#N)c1F
Show InChI InChI=1S/C26H28FN3O4/c1-16-20(5-6-21-22(16)15-34-26(21)31)23-13-30-10-9-29(12-19(30)14-33-23)8-7-17-3-4-18(11-28)24(27)25(17)32-2/h3-6,19,23H,7-10,12-15H2,1-2H3/t19-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312646
PNG
(US9604998, Example 46)
Show SMILES C[C@@H]1Cc2cc(ccc2C(=O)O1)C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C28H32N2O6/c1-16-9-19-10-18(3-4-22(19)28(33)36-16)25(31)12-29-7-8-30-13-26(34-14-20(30)11-29)21-5-6-23-24(17(21)2)15-35-27(23)32/h3-6,10,16,20,25-26,31H,7-9,11-15H2,1-2H3/t16-,20+,25?,26+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312609
PNG
(US9604998, Example 15 | US9604998, Example 37)
Show SMILES COc1cc(C(O)CN2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2C)c(F)cc1C#N
Show InChI InChI=1S/C26H28FN3O5/c1-15-18(3-4-19-21(15)14-35-26(19)32)25-12-30-6-5-29(10-17(30)13-34-25)11-23(31)20-8-24(33-2)16(9-28)7-22(20)27/h3-4,7-8,17,23,25,31H,5-6,10-14H2,1-2H3/t17-,23?,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312635
PNG
(US9604998, Example 35 | US9604998, Example 40)
Show SMILES COc1c(F)c(ccc1C(O)CN1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C)C#N
Show InChI InChI=1S/C26H28FN3O5/c1-15-18(5-6-19-21(15)14-35-26(19)32)23-12-30-8-7-29(10-17(30)13-34-23)11-22(31)20-4-3-16(9-28)24(27)25(20)33-2/h3-6,17,22-23,31H,7-8,10-14H2,1-2H3/t17-,22?,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312658
PNG
(US9604998, Example 58)
Show SMILES COc1cc(CCN2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2)ccc1C#N
Show InChI InChI=1S/C25H27N3O4/c1-30-23-10-17(2-3-19(23)12-26)6-7-27-8-9-28-14-24(31-16-21(28)13-27)18-4-5-22-20(11-18)15-32-25(22)29/h2-5,10-11,21,24H,6-9,13-16H2,1H3/t21-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312600
PNG
(US9604998, Example 6)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN2C[C@@H](OC[C@@H]2C1)c1ccc(F)c(C#N)c1C
Show InChI InChI=1S/C26H28FN3O4/c1-15-18(3-4-20-22(15)14-34-26(20)32)24(31)11-29-7-8-30-12-25(33-13-17(30)10-29)19-5-6-23(27)21(9-28)16(19)2/h3-6,17,24-25,31H,7-8,10-14H2,1-2H3/t17-,24-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312616
PNG
(US9604998, Example 22 | US9604998, Example 23)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(CC(O)c3cccc(c3)-n3cnnn3)C[C@@H]2CO1
Show InChI InChI=1S/C24H26FN7O2/c1-16-20(6-7-21(25)24(16)26-2)23-13-31-9-8-30(11-19(31)14-34-23)12-22(33)17-4-3-5-18(10-17)32-15-27-28-29-32/h3-7,10,15,19,22-23,33H,8-9,11-14H2,1H3/t19-,22?,23+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312602
PNG
(US9604998, Example 8)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN2C[C@H](OC[C@H]2C1)c1ccc(F)c(C#N)c1C
Show InChI InChI=1S/C26H28FN3O4/c1-15-18(3-4-20-22(15)14-34-26(20)32)24(31)11-29-7-8-30-12-25(33-13-17(30)10-29)19-5-6-23(27)21(9-28)16(19)2/h3-6,17,24-25,31H,7-8,10-14H2,1-2H3/t17-,24+,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312644
PNG
(US9604998, Example 44 | US9604998, Example 45)
Show SMILES C[C@H]1Cc2cc(ccc2C(=O)O1)C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C28H32N2O6/c1-16-9-19-10-18(3-4-22(19)28(33)36-16)25(31)12-29-7-8-30-13-26(34-14-20(30)11-29)21-5-6-23-24(17(21)2)15-35-27(23)32/h3-6,10,16,20,25-26,31H,7-9,11-15H2,1-2H3/t16-,20-,25?,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312661
PNG
(US9604998, Example 61)
Show SMILES COc1cc(CCN2CCN3C[C@@H](OC[C@H]3C2)c2ccc3C(=O)OCc3c2C)ccc1C#N
Show InChI InChI=1S/C26H29N3O4/c1-17-21(5-6-22-23(17)16-33-26(22)30)25-14-29-10-9-28(13-20(29)15-32-25)8-7-18-3-4-19(12-27)24(11-18)31-2/h3-6,11,20,25H,7-10,13-16H2,1-2H3/t20-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312703
PNG
(US9604998, Example 102)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCN2C[C@H](NC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C
Show InChI InChI=1S/C26H29FN4O3/c1-15-19(4-5-20-21(15)14-34-26(20)33)24(32)13-30-8-9-31-12-23(29-10-17(31)11-30)18-6-7-22(27)25(28-3)16(18)2/h4-7,17,23-24,29,32H,8-14H2,1-2H3/t17-,23+,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312682
PNG
(US9604998, Example 81)
Show SMILES CC1Cc2cc(CCN3CCN4C[C@H](OC[C@@H]4C3)c3ccc4C(=O)OCc4c3C)ccc2C(=O)O1
Show InChI InChI=1S/C28H32N2O5/c1-17-11-20-12-19(3-4-23(20)28(32)35-17)7-8-29-9-10-30-14-26(33-15-21(30)13-29)22-5-6-24-25(18(22)2)16-34-27(24)31/h3-6,12,17,21,26H,7-11,13-16H2,1-2H3/t17?,21-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312638
PNG
(US9604998, Example 38 | US9604998, Example 49)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(CC(O)c3cc(F)c(C#N)c(F)c3)C[C@H]2CO1
Show InChI InChI=1S/C25H25F2N3O4/c1-14-17(2-3-18-20(14)13-34-25(18)32)24-11-30-5-4-29(9-16(30)12-33-24)10-23(31)15-6-21(26)19(8-28)22(27)7-15/h2-3,6-7,16,23-24,31H,4-5,9-13H2,1H3/t16-,23?,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312636
PNG
(US9604998, Example 36)
Show SMILES COc1cc(C(O)CN2CCN3C[C@@H](OC[C@H]3C2)c2ccc3C(=O)OCc3c2C)c(F)cc1C#N
Show InChI InChI=1S/C26H28FN3O5/c1-15-18(3-4-19-21(15)14-35-26(19)32)25-12-30-6-5-29(10-17(30)13-34-25)11-23(31)20-8-24(33-2)16(9-28)7-22(20)27/h3-4,7-8,17,23,25,31H,5-6,10-14H2,1-2H3/t17-,23?,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312604
PNG
(US9604998, Example 10)
Show SMILES COc1cc(C(O)CN2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2)c(Cl)cc1C#N
Show InChI InChI=1S/C25H26ClN3O5/c1-32-23-8-20(21(26)7-16(23)9-27)22(30)11-28-4-5-29-12-24(33-14-18(29)10-28)15-2-3-19-17(6-15)13-34-25(19)31/h2-3,6-8,18,22,24,30H,4-5,10-14H2,1H3/t18-,22?,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312635
PNG
(US9604998, Example 35 | US9604998, Example 40)
Show SMILES COc1c(F)c(ccc1C(O)CN1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C)C#N
Show InChI InChI=1S/C26H28FN3O5/c1-15-18(5-6-19-21(15)14-35-26(19)32)23-12-30-8-7-29(10-17(30)13-34-23)11-22(31)20-4-3-16(9-28)24(27)25(20)33-2/h3-6,17,22-23,31H,7-8,10-14H2,1-2H3/t17-,22?,23+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312642
PNG
(US9604998, Example 42 | US9604998, Example 43)
Show SMILES Cc1cc2C(=O)OCc2cc1C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C27H30N2O6/c1-15-7-22-17(12-34-27(22)32)8-21(15)24(30)10-28-5-6-29-11-25(33-13-18(29)9-28)19-3-4-20-23(16(19)2)14-35-26(20)31/h3-4,7-8,18,24-25,30H,5-6,9-14H2,1-2H3/t18-,24?,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312644
PNG
(US9604998, Example 44 | US9604998, Example 45)
Show SMILES C[C@H]1Cc2cc(ccc2C(=O)O1)C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C28H32N2O6/c1-16-9-19-10-18(3-4-22(19)28(33)36-16)25(31)12-29-7-8-30-13-26(34-14-20(30)11-29)21-5-6-23-24(17(21)2)15-35-27(23)32/h3-6,10,16,20,25-26,31H,7-9,11-15H2,1-2H3/t16-,20-,25?,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312633
PNG
(US9604998, Example 33 | US9604998, Example 41)
Show SMILES COc1c(F)c(ccc1C(O)CN1CCN2C[C@H](OC[C@H]2C1)c1ccc2C(=O)OCc2c1C)C#N
Show InChI InChI=1S/C26H28FN3O5/c1-15-18(5-6-19-21(15)14-35-26(19)32)23-12-30-8-7-29(10-17(30)13-34-23)11-22(31)20-4-3-16(9-28)24(27)25(20)33-2/h3-6,17,22-23,31H,7-8,10-14H2,1-2H3/t17-,22?,23+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312695
PNG
(US9604998, Example 94)
Show SMILES COc1c(CCN2CCN3C[C@@H](OC[C@H]3C2)c2ccc3C(=O)OCc3c2C)ccc(C#N)c1F
Show InChI InChI=1S/C26H28FN3O4/c1-16-20(5-6-21-22(16)15-34-26(21)31)23-13-30-10-9-29(12-19(30)14-33-23)8-7-17-3-4-18(11-28)24(27)25(17)32-2/h3-6,19,23H,7-10,12-15H2,1-2H3/t19-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312668
PNG
(US9604998, Example 68)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@H](OC[C@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C27H30N2O5/c1-16-18(3-4-21-23(16)14-33-26(21)30)7-8-28-9-10-29-12-25(32-13-19(29)11-28)20-5-6-22-24(17(20)2)15-34-27(22)31/h3-6,19,25H,7-15H2,1-2H3/t19-,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312666
PNG
(US9604998, Example 66)
Show SMILES CC(CN1CCN2C[C@@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C)c1ccc2C(=O)OCc2c1
Show InChI InChI=1S/C27H30N2O5/c1-16(18-3-4-22-19(9-18)13-33-26(22)30)10-28-7-8-29-12-25(32-14-20(29)11-28)21-5-6-23-24(17(21)2)15-34-27(23)31/h3-6,9,16,20,25H,7-8,10-15H2,1-2H3/t16?,20-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312624
PNG
(US9604998, Example 30)
Show SMILES COc1c(F)c(ccc1[C@@H]1CN2CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)C[C@H]2CO1)[N+]#[C-]
Show InChI InChI=1S/C26H28FN3O5/c1-15-17(4-5-18-20(15)14-35-26(18)32)22(31)11-29-8-9-30-12-23(34-13-16(30)10-29)19-6-7-21(28-2)24(27)25(19)33-3/h4-7,16,22-23,31H,8-14H2,1,3H3/t16-,22-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312625
PNG
(US9604998, Example 31)
Show SMILES COc1c(F)c(ccc1[C@@H]1CN2CCN(C[C@@H](O)c3ccc4C(=O)OCc4c3C)C[C@H]2CO1)[N+]#[C-]
Show InChI InChI=1S/C26H28FN3O5/c1-15-17(4-5-18-20(15)14-35-26(18)32)22(31)11-29-8-9-30-12-23(34-13-16(30)10-29)19-6-7-21(28-2)24(27)25(19)33-3/h4-7,16,22-23,31H,8-14H2,1,3H3/t16-,22+,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312611
PNG
(US9604998, Example 17 | US9604998, Example 18)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(CC(O)c3ccc(nc3)-n3cnnn3)C[C@H]2CO1
Show InChI InChI=1S/C23H25FN8O2/c1-15-18(4-5-19(24)23(15)25-2)21-12-31-8-7-30(10-17(31)13-34-21)11-20(33)16-3-6-22(26-9-16)32-14-27-28-29-32/h3-6,9,14,17,20-21,33H,7-8,10-13H2,1H3/t17-,20?,21+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312634
PNG
(US9604998, Example 34 | US9604998, Example 39)
Show SMILES COc1c(F)c(ccc1C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C)C#N
Show InChI InChI=1S/C26H28FN3O5/c1-15-18(5-6-19-21(15)14-35-26(19)32)23-12-30-8-7-29(10-17(30)13-34-23)11-22(31)20-4-3-16(9-28)24(27)25(20)33-2/h3-6,17,22-23,31H,7-8,10-14H2,1-2H3/t17-,22?,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312634
PNG
(US9604998, Example 34 | US9604998, Example 39)
Show SMILES COc1c(F)c(ccc1C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C)C#N
Show InChI InChI=1S/C26H28FN3O5/c1-15-18(5-6-19-21(15)14-35-26(19)32)23-12-30-8-7-29(10-17(30)13-34-23)11-22(31)20-4-3-16(9-28)24(27)25(20)33-2/h3-6,17,22-23,31H,7-8,10-14H2,1-2H3/t17-,22?,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312706
PNG
(US9604998, Example 105)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(CCc3ccc4C(=O)OCc4c3)C[C@@H]2CN1
Show InChI InChI=1S/C25H27FN4O2/c1-16-20(5-6-22(26)24(16)27-2)23-14-30-10-9-29(13-19(30)12-28-23)8-7-17-3-4-21-18(11-17)15-32-25(21)31/h3-6,11,19,23,28H,7-10,12-15H2,1H3/t19-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312673
PNG
(US9604998, Example 72)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c(c1)[N+]#[C-]
Show InChI InChI=1S/C25H26FN3O3/c1-16-17(3-5-20-21(16)15-32-25(20)30)7-8-28-9-10-29-13-24(31-14-19(29)12-28)18-4-6-22(26)23(11-18)27-2/h3-6,11,19,24H,7-10,12-15H2,1H3/t19-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 160n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312633
PNG
(US9604998, Example 33 | US9604998, Example 41)
Show SMILES COc1c(F)c(ccc1C(O)CN1CCN2C[C@H](OC[C@H]2C1)c1ccc2C(=O)OCc2c1C)C#N
Show InChI InChI=1S/C26H28FN3O5/c1-15-18(5-6-19-21(15)14-35-26(19)32)23-12-30-8-7-29(10-17(30)13-34-23)11-22(31)20-4-3-16(9-28)24(27)25(20)33-2/h3-6,17,22-23,31H,7-8,10-14H2,1-2H3/t17-,22?,23+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 170n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312648
PNG
(US9604998, Example 48 | US9604998, Example 54)
Show SMILES COc1cc(cc(F)c1C#N)C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C26H28FN3O5/c1-15-18(3-4-19-21(15)14-35-26(19)32)25-12-30-6-5-29(10-17(30)13-34-25)11-23(31)16-7-22(27)20(9-28)24(8-16)33-2/h3-4,7-8,17,23,25,31H,5-6,10-14H2,1-2H3/t17-,23?,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 170n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312632
PNG
(US9604998, Example 32)
Show SMILES COc1c(F)c(ccc1[C@@H]1CN2CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)C[C@@H]2CO1)[N+]#[C-]
Show InChI InChI=1S/C26H28FN3O5/c1-15-17(4-5-18-20(15)14-35-26(18)32)22(31)11-29-8-9-30-12-23(34-13-16(30)10-29)19-6-7-21(28-2)24(27)25(19)33-3/h4-7,16,22-23,31H,8-14H2,1,3H3/t16-,22+,23+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 180n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312660
PNG
(US9604998, Example 60)
Show SMILES COc1cc(CCN2CCN3C[C@@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2C)ccc1C#N
Show InChI InChI=1S/C26H29N3O4/c1-17-21(5-6-22-23(17)16-33-26(22)30)25-14-29-10-9-28(13-20(29)15-32-25)8-7-18-3-4-19(12-27)24(11-18)31-2/h3-6,11,20,25H,7-10,13-16H2,1-2H3/t20-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 180n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312647
PNG
(US9604998, Example 47)
Show SMILES COc1cc(ccc1C#N)C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C26H29N3O5/c1-16-20(5-6-21-22(16)15-34-26(21)31)25-13-29-8-7-28(11-19(29)14-33-25)12-23(30)17-3-4-18(10-27)24(9-17)32-2/h3-6,9,19,23,25,30H,7-8,11-15H2,1-2H3/t19-,23?,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 190n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312618
PNG
(US9604998, Example 24 | US9604998, Example 25)
Show SMILES Cc1cc2C(=O)OCc2cc1C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C
Show InChI InChI=1S/C26H28FN3O4/c1-15-8-21-17(13-34-26(21)32)9-20(15)23(31)11-29-6-7-30-12-24(33-14-18(30)10-29)19-4-5-22(27)25(28-3)16(19)2/h4-5,8-9,18,23-24,31H,6-7,10-14H2,1-2H3/t18-,23?,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 190n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312708
PNG
(US9604998, Example 107)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(C[C@H](O)c3ccc4C(=O)OCc4c3)C[C@@H]2CN1
Show InChI InChI=1S/C25H27FN4O3/c1-15-19(5-6-21(26)24(15)27-2)22-12-30-8-7-29(11-18(30)10-28-22)13-23(31)16-3-4-20-17(9-16)14-33-25(20)32/h3-6,9,18,22-23,28,31H,7-8,10-14H2,1H3/t18-,22-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312672
PNG
(US9604998, Example 71)
Show SMILES COc1cc(ccc1C#N)[C@@H]1CN2CCN(CCc3ccc4C(=O)OCc4c3C)C[C@H]2CO1
Show InChI InChI=1S/C26H29N3O4/c1-17-18(5-6-22-23(17)16-33-26(22)30)7-8-28-9-10-29-14-25(32-15-21(29)13-28)19-3-4-20(12-27)24(11-19)31-2/h3-6,11,21,25H,7-10,13-16H2,1-2H3/t21-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 200n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312700
PNG
(US9604998, Example 99)
Show SMILES COc1cc(CCN2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2C)cc(F)c1C#N
Show InChI InChI=1S/C26H28FN3O4/c1-16-19(3-4-20-22(16)15-34-26(20)31)25-13-30-8-7-29(12-18(30)14-33-25)6-5-17-9-23(27)21(11-28)24(10-17)32-2/h3-4,9-10,18,25H,5-8,12-15H2,1-2H3/t18-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312692
PNG
(US9604998, Example 91)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(CCc3ccc4C(=O)OCc4c3Br)C[C@H]2CO1
Show InChI InChI=1S/C26H27BrN2O5/c1-15-18(4-5-19-21(15)13-33-25(19)30)23-11-29-9-8-28(10-17(29)12-32-23)7-6-16-2-3-20-22(24(16)27)14-34-26(20)31/h2-5,17,23H,6-14H2,1H3/t17-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312701
PNG
(US9604998, Example 100)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(C[C@H]2CO1)C1CCc2cc(ccc2C1)C#N
Show InChI InChI=1S/C27H29N3O3/c1-17-23(6-7-24-25(17)16-33-27(24)31)26-14-30-9-8-29(13-22(30)15-32-26)21-5-4-19-10-18(12-28)2-3-20(19)11-21/h2-3,6-7,10,21-22,26H,4-5,8-9,11,13-16H2,1H3/t21?,22-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312648
PNG
(US9604998, Example 48 | US9604998, Example 54)
Show SMILES COc1cc(cc(F)c1C#N)C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C26H28FN3O5/c1-15-18(3-4-19-21(15)14-35-26(19)32)25-12-30-6-5-29(10-17(30)13-34-25)11-23(31)16-7-22(27)20(9-28)24(8-16)33-2/h3-4,7-8,17,23,25,31H,5-6,10-14H2,1-2H3/t17-,23?,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312615
PNG
(US9604998, Example 21)
Show SMILES Cc1nc(ccc1C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1
Show InChI InChI=1S/C24H27FN8O2/c1-15-18(4-6-20(25)24(15)26-3)22-12-32-9-8-31(10-17(32)13-35-22)11-21(34)19-5-7-23(28-16(19)2)33-14-27-29-30-33/h4-7,14,17,21-22,34H,8-13H2,1-2H3/t17-,21?,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 210n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312620
PNG
(US9604998, Example 26 | US9604998, Example 27)
Show SMILES Cc1cc2C(=O)OCc2cc1C(O)CN1CCN2C[C@@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C
Show InChI InChI=1S/C26H28FN3O4/c1-15-8-21-17(13-34-26(21)32)9-20(15)23(31)11-29-6-7-30-12-24(33-14-18(30)10-29)19-4-5-22(27)25(28-3)16(19)2/h4-5,8-9,18,23-24,31H,6-7,10-14H2,1-2H3/t18-,23?,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 220n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312607
PNG
(US9604998, Example 13)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(CC(O)c3ccc(F)c(C#N)c3C)C[C@H]2CO1
Show InChI InChI=1S/C26H28FN3O4/c1-15-18(5-6-23(27)21(15)9-28)24(31)11-29-7-8-30-12-25(33-13-17(30)10-29)19-3-4-20-22(16(19)2)14-34-26(20)32/h3-6,17,24-25,31H,7-8,10-14H2,1-2H3/t17-,24?,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 220n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312650
PNG
(US9604998, Example 50 | US9604998, Example 51)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(CC(O)c3ccc4C(=O)OCc4c3C3CC3)C[C@H]2CO1
Show InChI InChI=1S/C29H32N2O6/c1-16-19(4-5-20-23(16)14-36-28(20)33)26-12-31-9-8-30(10-18(31)13-35-26)11-25(32)22-7-6-21-24(15-37-29(21)34)27(22)17-2-3-17/h4-7,17-18,25-26,32H,2-3,8-15H2,1H3/t18-,25?,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 230n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312691
PNG
(US9604998, Example 90)
Show SMILES CC(CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCc2c1C)c1ccc2C(=O)OCc2c1C
Show InChI InChI=1S/C28H32N2O5/c1-16(20-4-6-22-24(17(20)2)14-34-27(22)31)10-29-8-9-30-12-26(33-13-19(30)11-29)21-5-7-23-25(18(21)3)15-35-28(23)32/h4-7,16,19,26H,8-15H2,1-3H3/t16?,19-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 230n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312618
PNG
(US9604998, Example 24 | US9604998, Example 25)
Show SMILES Cc1cc2C(=O)OCc2cc1C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C
Show InChI InChI=1S/C26H28FN3O4/c1-15-8-21-17(13-34-26(21)32)9-20(15)23(31)11-29-6-7-30-12-24(33-14-18(30)10-29)19-4-5-22(27)25(28-3)16(19)2/h4-5,8-9,18,23-24,31H,6-7,10-14H2,1-2H3/t18-,23?,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 240n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312620
PNG
(US9604998, Example 26 | US9604998, Example 27)
Show SMILES Cc1cc2C(=O)OCc2cc1C(O)CN1CCN2C[C@@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C
Show InChI InChI=1S/C26H28FN3O4/c1-15-8-21-17(13-34-26(21)32)9-20(15)23(31)11-29-6-7-30-12-24(33-14-18(30)10-29)19-4-5-22(27)25(28-3)16(19)2/h4-5,8-9,18,23-24,31H,6-7,10-14H2,1-2H3/t18-,23?,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 240n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312613
PNG
(US9604998, Example 19 | US9604998, Example 20)
Show SMILES Cc1cc(ncc1C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1
Show InChI InChI=1S/C24H27FN8O2/c1-15-8-23(33-14-28-29-30-33)27-9-19(15)21(34)11-31-6-7-32-12-22(35-13-17(32)10-31)18-4-5-20(25)24(26-3)16(18)2/h4-5,8-9,14,17,21-22,34H,6-7,10-13H2,1-2H3/t17-,21?,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 240n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312650
PNG
(US9604998, Example 50 | US9604998, Example 51)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H]1CN2CCN(CC(O)c3ccc4C(=O)OCc4c3C3CC3)C[C@H]2CO1
Show InChI InChI=1S/C29H32N2O6/c1-16-19(4-5-20-23(16)14-36-28(20)33)26-12-31-9-8-30(10-18(31)13-35-26)11-25(32)22-7-6-21-24(15-37-29(21)34)27(22)17-2-3-17/h4-7,17-18,25-26,32H,2-3,8-15H2,1H3/t18-,25?,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 250n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312613
PNG
(US9604998, Example 19 | US9604998, Example 20)
Show SMILES Cc1cc(ncc1C(O)CN1CCN2C[C@H](OC[C@@H]2C1)c1ccc(F)c([N+]#[C-])c1C)-n1cnnn1
Show InChI InChI=1S/C24H27FN8O2/c1-15-8-23(33-14-28-29-30-33)27-9-19(15)21(34)11-31-6-7-32-12-22(35-13-17(32)10-31)18-4-5-20(25)24(26-3)16(18)2/h4-5,8-9,14,17,21-22,34H,6-7,10-13H2,1-2H3/t17-,21?,22-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 260n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312608
PNG
(US9604998, Example 14)
Show SMILES COc1cc(ccc1C#N)[C@H]1CN2CCN(CC(O)c3cc(OC)c(cc3F)C#N)C[C@@H]2CO1
Show InChI InChI=1S/C25H27FN4O4/c1-32-23-8-16(3-4-17(23)10-27)25-14-30-6-5-29(12-19(30)15-34-25)13-22(31)20-9-24(33-2)18(11-28)7-21(20)26/h3-4,7-9,19,22,25,31H,5-6,12-15H2,1-2H3/t19-,22?,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 270n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312698
PNG
(US9604998, Example 97)
Show SMILES COc1cc(CCN2CCN3C[C@@H](OC[C@H]3C2)c2ccc3C(=O)OCc3c2C)c(F)cc1C#N
Show InChI InChI=1S/C26H28FN3O4/c1-16-20(3-4-21-22(16)15-34-26(21)31)25-13-30-8-7-29(12-19(30)14-33-25)6-5-17-10-24(32-2)18(11-28)9-23(17)27/h3-4,9-10,19,25H,5-8,12-15H2,1-2H3/t19-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 280n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312609
PNG
(US9604998, Example 15 | US9604998, Example 37)
Show SMILES COc1cc(C(O)CN2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2C)c(F)cc1C#N
Show InChI InChI=1S/C26H28FN3O5/c1-15-18(3-4-19-21(15)14-35-26(19)32)25-12-30-6-5-29(10-17(30)13-34-25)11-23(31)20-8-24(33-2)16(9-28)7-22(20)27/h3-4,7-8,17,23,25,31H,5-6,10-14H2,1-2H3/t17-,23?,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 290n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312674
PNG
(US9604998, Example 73)
Show SMILES Cc1c2COC(=O)c2ccc1CCN1CCN2C[C@H](OC[C@@H]2C1)c1ccc2C(=O)OCCc2c1
Show InChI InChI=1S/C27H30N2O5/c1-17-18(2-5-23-24(17)16-34-27(23)31)6-8-28-9-10-29-14-25(33-15-21(29)13-28)20-3-4-22-19(12-20)7-11-32-26(22)30/h2-5,12,21,25H,6-11,13-16H2,1H3/t21-,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312603
PNG
(US9604998, Example 9)
Show SMILES COc1cc(C(O)CN2CCN3C[C@H](OC[C@@H]3C2)c2ccc3C(=O)OCc3c2C)c(Cl)cc1C#N
Show InChI InChI=1S/C26H28ClN3O5/c1-15-18(3-4-19-21(15)14-35-26(19)32)25-12-30-6-5-29(10-17(30)13-34-25)11-23(31)20-8-24(33-2)16(9-28)7-22(20)27/h3-4,7-8,17,23,25,31H,5-6,10-14H2,1-2H3/t17-,23?,25-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 310n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312705
PNG
(US9604998, Example 104)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@H]1CN2CCN(CCc3ccc4C(=O)OCc4c3)C[C@H]2CN1
Show InChI InChI=1S/C25H27FN4O2/c1-16-20(5-6-22(26)24(16)27-2)23-14-30-10-9-29(13-19(30)12-28-23)8-7-17-3-4-21-18(11-17)15-32-25(21)31/h3-6,11,19,23,28H,7-10,12-15H2,1H3/t19-,23-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 400n/an/an/an/an/an/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 US9604998 (2017)

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


(Homo sapiens)
BDBM312616
PNG
(US9604998, Example 22 | US9604998, Example 23)
Show SMILES Cc1c(ccc(F)c1[N+]#[C-])[C@@H]1CN2CCN(CC(O)c3cccc(c3)-n3cnnn3)C[C@@H]2CO1
Show InChI InChI=1S/C24H26FN7O2/c1-16-20(6-7-21(25)24(16)26-2)23-13-31-9-8-30(11-19(31)14-34-23)12-22(33)17-4-3-5-18(10-17)32-15-27-28-29-32/h3-7,10,15,19,22-23,33H,8-9,11-14H2,1H3/t19-,22?,23+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 440n/an/an/an/an/an/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 US9604998 (2017)

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