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Compile Data Set for Download or QSAR

Found 378 hits with Last Name = 'fu' and Initial = 'q'   
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
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50442257
PNG
(CHEMBL2028192)
Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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30n/an/an/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin using FA-Fly-Leu-NH2 as substrate at pH 7.5 after 15 mins by Henderson plot analysis


Bioorg Med Chem 21: 6778-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.052
BindingDB Entry DOI: 10.7270/Q2CF9RJ6
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50442257
PNG
(CHEMBL2028192)
Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O
Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23-/m0/s1
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32n/an/an/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin


Bioorg Med Chem 21: 6778-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.052
BindingDB Entry DOI: 10.7270/Q2CF9RJ6
More data for this
Ligand-Target Pair
Thermolysin


(Bacillus thermoproteolyticus)
BDBM50442256
PNG
(CHEMBL2442111)
Show SMILES CC(C)C[C@H](NP([O-])(=O)O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C([O-])=O
Show InChI InChI=1/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/p-2/t12-,16-,17-,18-,19+,20+,23+/s2
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280n/an/an/an/an/an/an/an/a



Jiangxi Science and Technology Normal University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus thermoproteolyticus thermolysin using FA-Fly-Leu-NH2 as substrate at pH 7.5 after 15 mins by Henderson plot analysis


Bioorg Med Chem 21: 6778-87 (2013)


Article DOI: 10.1016/j.bmc.2013.07.052
BindingDB Entry DOI: 10.7270/Q2CF9RJ6
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311570
PNG
(2-(6-(4-(4-aminopyrimidin-2-yloxy)piperidin-1-yl)-...)
Show SMILES Nc1ccnc(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2F)n1
Show InChI InChI=1S/C20H18FN7O2/c21-17-18(25-12-26-19(17)30-15-4-2-1-3-13(15)11-22)28-9-6-14(7-10-28)29-20-24-8-5-16(23)27-20/h1-5,8,12,14H,6-7,9-10H2,(H2,23,24,27)
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n/an/a 0.700n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311568
PNG
(3-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES COc1ccc(cc1Oc1ncnc(N2CCC(CC2)Oc2ncc(F)c(N)n2)c1F)C#N
Show InChI InChI=1S/C21H19F2N7O3/c1-31-15-3-2-12(9-24)8-16(15)33-20-17(23)19(27-11-28-20)30-6-4-13(5-7-30)32-21-26-10-14(22)18(25)29-21/h2-3,8,10-11,13H,4-7H2,1H3,(H2,25,26,29)
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n/an/a 1n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311564
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2F)ncc1F
Show InChI InChI=1S/C20H17F2N7O2/c21-14-10-25-20(28-17(14)24)30-13-5-7-29(8-6-13)18-16(22)19(27-11-26-18)31-15-4-2-1-3-12(15)9-23/h1-4,10-11,13H,5-8H2,(H2,24,25,28)
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n/an/a 1n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311609
PNG
(CHEMBL1080444 | N-((1S,3S)-3-(4-amino-5-fluoro-2-o...)
Show SMILES Nc1nc(=O)n(cc1F)[C@H]1CC[C@@H](C1)NC(=O)c1cc(ccn1)-c1cc2ccccc2s1
Show InChI InChI=1/C23H20FN5O2S/c24-17-12-29(23(31)28-21(17)25)16-6-5-15(11-16)27-22(30)18-9-14(7-8-26-18)20-10-13-3-1-2-4-19(13)32-20/h1-4,7-10,12,15-16H,5-6,11H2,(H,27,30)(H2,25,28,31)/t15-,16-/s2
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n/an/a 1.70n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human deoxycytidine kinase by lysate filter binding assay


Bioorg Med Chem Lett 19: 6784-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.081
BindingDB Entry DOI: 10.7270/Q2CV4HVK
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311569
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES COc1ccc(Oc2ncnc(N3CCC(CC3)Oc3ncc(F)c(N)n3)c2F)c(c1)C#N
Show InChI InChI=1S/C21H19F2N7O3/c1-31-14-2-3-16(12(8-14)9-24)33-20-17(23)19(27-11-28-20)30-6-4-13(5-7-30)32-21-26-10-15(22)18(25)29-21/h2-3,8,10-11,13H,4-7H2,1H3,(H2,25,26,29)
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n/an/a 2n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311556
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3C#N)ncn2)ncc1F
Show InChI InChI=1S/C20H18FN7O2/c21-15-11-24-20(27-19(15)23)29-14-5-7-28(8-6-14)17-9-18(26-12-25-17)30-16-4-2-1-3-13(16)10-22/h1-4,9,11-12,14H,5-8H2,(H2,23,24,27)
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n/an/a 3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311554
PNG
(2-(1-(6-(2-chlorophenoxy)pyrimidin-4-yl)piperidin-...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3Cl)ncn2)ncc1F
Show InChI InChI=1S/C19H18ClFN6O2/c20-13-3-1-2-4-15(13)29-17-9-16(24-11-25-17)27-7-5-12(6-8-27)28-19-23-10-14(21)18(22)26-19/h1-4,9-12H,5-8H2,(H2,22,23,26)
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n/an/a 3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311551
PNG
(2-(1-(6-(biphenyl-2-yloxy)pyrimidin-4-yl)piperidin...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3-c3ccccc3)ncn2)ncc1F
Show InChI InChI=1S/C25H23FN6O2/c26-20-15-28-25(31-24(20)27)33-18-10-12-32(13-11-18)22-14-23(30-16-29-22)34-21-9-5-4-8-19(21)17-6-2-1-3-7-17/h1-9,14-16,18H,10-13H2,(H2,27,28,31)
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n/an/a 3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311544
PNG
(2-(2-(1-(6-(benzo[b]thiophen-2-yl)pyrimidin-4-yl)p...)
Show SMILES Nc1nc(OCCC2CCN(CC2)c2cc(ncn2)-c2cc3ccccc3s2)ncc1F
Show InChI InChI=1S/C23H23FN6OS/c24-17-13-26-23(29-22(17)25)31-10-7-15-5-8-30(9-6-15)21-12-18(27-14-28-21)20-11-16-3-1-2-4-19(16)32-20/h1-4,11-15H,5-10H2,(H2,25,26,29)
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n/an/a 3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311560
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES COc1ccc(Oc2cc(ncn2)N2CCC(CC2)Oc2ncc(F)c(N)n2)c(c1)C#N
Show InChI InChI=1S/C21H20FN7O3/c1-30-15-2-3-17(13(8-15)10-23)32-19-9-18(26-12-27-19)29-6-4-14(5-7-29)31-21-25-11-16(22)20(24)28-21/h2-3,8-9,11-12,14H,4-7H2,1H3,(H2,24,25,28)
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n/an/a 3n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311565
PNG
(5-fluoro-2-(1-(5-fluoro-6-(4-methoxyphenoxy)pyrimi...)
Show SMILES COc1ccc(Oc2ncnc(N3CCC(CC3)Oc3ncc(F)c(N)n3)c2F)cc1
Show InChI InChI=1S/C20H20F2N6O3/c1-29-12-2-4-13(5-3-12)30-19-16(22)18(25-11-26-19)28-8-6-14(7-9-28)31-20-24-10-15(21)17(23)27-20/h2-5,10-11,14H,6-9H2,1H3,(H2,23,24,27)
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n/an/a 4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50249205
PNG
(CHEMBL4062753)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccns2)CC1
Show InChI InChI=1/C22H25N3O4S/c1-14-15(2-3-16-17(14)13-29-20(16)27)18(26)12-24-9-5-22(6-10-24)7-11-25(21(22)28)19-4-8-23-30-19/h2-4,8,18,26H,5-7,9-13H2,1H3/t18-/s2
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n/an/a 4n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method


Bioorg Med Chem Lett 27: 2559-2566 (2017)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311566
PNG
(3-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3cccc(c3)C#N)c2F)ncc1F
Show InChI InChI=1S/C20H17F2N7O2/c21-15-10-25-20(28-17(15)24)31-13-4-6-29(7-5-13)18-16(22)19(27-11-26-18)30-14-3-1-2-12(8-14)9-23/h1-3,8,10-11,13H,4-7H2,(H2,24,25,28)
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n/an/a 4n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
Show InChI InChI=1/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
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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)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311548
PNG
(5-fluoro-2-(1-(6-(2-methoxyphenoxy)pyrimidin-4-yl)...)
Show SMILES COc1ccccc1Oc1cc(ncn1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C20H21FN6O3/c1-28-15-4-2-3-5-16(15)30-18-10-17(24-12-25-18)27-8-6-13(7-9-27)29-20-23-11-14(21)19(22)26-20/h2-5,10-13H,6-9H2,1H3,(H2,22,23,26)
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n/an/a 5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
ATP-sensitive inward rectifier potassium channel 1


(Homo sapiens (Human))
BDBM50249244
PNG
(CHEMBL4103004)
Show SMILES COc1nccc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
Show InChI InChI=1/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-21(17)30)19(29)13-27-10-6-24(7-11-27)8-12-28(22(24)31)20-5-9-25-23(26-20)32-2/h3-5,9,19,29H,6-8,10-14H2,1-2H3/t19-/s2
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n/an/a 5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method


Bioorg Med Chem Lett 27: 2559-2566 (2017)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311567
PNG
(4-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3ccc(cc3)C#N)c2F)ncc1F
Show InChI InChI=1S/C20H17F2N7O2/c21-15-10-25-20(28-17(15)24)31-14-5-7-29(8-6-14)18-16(22)19(27-11-26-18)30-13-3-1-12(9-23)2-4-13/h1-4,10-11,14H,5-8H2,(H2,24,25,28)
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n/an/a 5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311563
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2ncnc(Oc3ccccc3C#N)c2Br)ncc1F
Show InChI InChI=1S/C20H17BrFN7O2/c21-16-18(26-11-27-19(16)31-15-4-2-1-3-12(15)9-23)29-7-5-13(6-8-29)30-20-25-10-14(22)17(24)28-20/h1-4,10-11,13H,5-8H2,(H2,24,25,28)
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n/an/a 5n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311558
PNG
(5-fluoro-2-(1-(6-(2-fluorophenoxy)pyrimidin-4-yl)p...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccccc3F)ncn2)ncc1F
Show InChI InChI=1S/C19H18F2N6O2/c20-13-3-1-2-4-15(13)29-17-9-16(24-11-25-17)27-7-5-12(6-8-27)28-19-23-10-14(21)18(22)26-19/h1-4,9-12H,5-8H2,(H2,22,23,26)
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n/an/a 6n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
Show InChI InChI=1/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-/s2
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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)

More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
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
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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)

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


(Homo sapiens (Human))
BDBM50249205
PNG
(CHEMBL4062753)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccns2)CC1
Show InChI InChI=1/C22H25N3O4S/c1-14-15(2-3-16-17(14)13-29-20(16)27)18(26)12-24-9-5-22(6-10-24)7-11-25(21(22)28)19-4-8-23-30-19/h2-4,8,18,26H,5-7,9-13H2,1H3/t18-/s2
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n/an/a 8n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay


Bioorg Med Chem Lett 27: 2559-2566 (2017)

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


(Homo sapiens (Human))
BDBM50249227
PNG
(CHEMBL4095422)
Show SMILES Cc1nsc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
Show InChI InChI=1/C22H26N4O4S/c1-13-15(3-4-16-17(13)12-30-19(16)28)18(27)11-25-8-5-22(6-9-25)7-10-26(20(22)29)21-23-14(2)24-31-21/h3-4,18,27H,5-12H2,1-2H3/t18-/s2
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n/an/a 8n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method


Bioorg Med Chem Lett 27: 2559-2566 (2017)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311550
PNG
(5-fluoro-2-(1-(6-(o-tolyloxy)pyrimidin-4-yl)piperi...)
Show SMILES Cc1ccccc1Oc1cc(ncn1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C20H21FN6O2/c1-13-4-2-3-5-16(13)29-18-10-17(24-12-25-18)27-8-6-14(7-9-27)28-20-23-11-15(21)19(22)26-20/h2-5,10-12,14H,6-9H2,1H3,(H2,22,23,26)
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n/an/a 9n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311559
PNG
(2-(1-(6-(4-chloro-2-methylphenoxy)pyrimidin-4-yl)p...)
Show SMILES Cc1cc(Cl)ccc1Oc1cc(ncn1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C20H20ClFN6O2/c1-12-8-13(21)2-3-16(12)30-18-9-17(25-11-26-18)28-6-4-14(5-7-28)29-20-24-10-15(22)19(23)27-20/h2-3,8-11,14H,4-7H2,1H3,(H2,23,24,27)
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n/an/a 9n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50249299
PNG
(CHEMBL4093627)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2cc(ns2)-c2ccccc2)CC1
Show InChI InChI=1/C28H29N3O4S/c1-18-20(7-8-21-22(18)17-35-26(21)33)24(32)16-30-12-9-28(10-13-30)11-14-31(27(28)34)25-15-23(29-36-25)19-5-3-2-4-6-19/h2-8,15,24,32H,9-14,16-17H2,1H3/t24-/s2
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n/an/a 9.5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 27: 2559-2566 (2017)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311555
PNG
(2-(1-(6-(2-ethylphenoxy)pyrimidin-4-yl)piperidin-4...)
Show SMILES CCc1ccccc1Oc1cc(ncn1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C21H23FN6O2/c1-2-14-5-3-4-6-17(14)30-19-11-18(25-13-26-19)28-9-7-15(8-10-28)29-21-24-12-16(22)20(23)27-21/h3-6,11-13,15H,2,7-10H2,1H3,(H2,23,24,27)
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n/an/a 10n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM13065
PNG
(5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluor...)
Show SMILES COc1ccc(cc1)-n1nc(cc1-c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N2O/c1-24-14-8-6-13(7-9-14)23-15(10-16(22-23)17(19,20)21)11-2-4-12(18)5-3-11/h2-10H,1H3
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n/an/a 10n/an/an/an/an/an/a



Peking University Health Science Center

Curated by ChEMBL


Assay Description
Inhibition of COX1 by microplate reader


J Nat Prod 73: 1234-9 (2010)


Article DOI: 10.1021/np100057y
BindingDB Entry DOI: 10.7270/Q26Q1XF3
More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311562
PNG
(2-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Cc1nc(Oc2ccccc2C#N)cc(n1)N1CCC(CC1)Oc1ncc(F)c(N)n1
Show InChI InChI=1S/C21H20FN7O2/c1-13-26-18(10-19(27-13)31-17-5-3-2-4-14(17)11-23)29-8-6-15(7-9-29)30-21-25-12-16(22)20(24)28-21/h2-5,10,12,15H,6-9H2,1H3,(H2,24,25,28)
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n/an/a 10n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
Show InChI InChI=1/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
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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)

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


(Homo sapiens (Human))
BDBM50249241
PNG
(CHEMBL4092262)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccncc2)CC1
Show InChI InChI=1/C24H27N3O4/c1-16-18(2-3-19-20(16)15-31-22(19)29)21(28)14-26-11-6-24(7-12-26)8-13-27(23(24)30)17-4-9-25-10-5-17/h2-5,9-10,21,28H,6-8,11-15H2,1H3/t21-/s2
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n/an/a 11n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method


Bioorg Med Chem Lett 27: 2559-2566 (2017)

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


(Homo sapiens (Human))
BDBM50249216
PNG
(CHEMBL4075906)
Show SMILES Cc1cc(sn1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
Show InChI InChI=1/C23H27N3O4S/c1-14-11-20(31-24-14)26-10-7-23(22(26)29)5-8-25(9-6-23)12-19(27)16-3-4-17-18(15(16)2)13-30-21(17)28/h3-4,11,19,27H,5-10,12-13H2,1-2H3/t19-/s2
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n/an/a 12n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method


Bioorg Med Chem Lett 27: 2559-2566 (2017)

More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
Show InChI InChI=1/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
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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)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311557
PNG
(3-(6-(4-(4-amino-5-fluoropyrimidin-2-yloxy)piperid...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3cccc(c3)C#N)ncn2)ncc1F
Show InChI InChI=1S/C20H18FN7O2/c21-16-11-24-20(27-19(16)23)30-14-4-6-28(7-5-14)17-9-18(26-12-25-17)29-15-3-1-2-13(8-15)10-22/h1-3,8-9,11-12,14H,4-7H2,(H2,23,24,27)
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n/an/a 13n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
Show InChI InChI=1/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
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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)

More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
Show InChI InChI=1/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?/s2
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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)

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


(Homo sapiens (Human))
BDBM50249244
PNG
(CHEMBL4103004)
Show SMILES COc1nccc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
Show InChI InChI=1/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-21(17)30)19(29)13-27-10-6-24(7-11-27)8-12-28(22(24)31)20-5-9-25-23(26-20)32-2/h3-5,9,19,29H,6-8,10-14H2,1-2H3/t19-/s2
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n/an/a 14n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay


Bioorg Med Chem Lett 27: 2559-2566 (2017)

More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
Show InChI InChI=1/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
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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)

More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
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
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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)

More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
Show InChI InChI=1/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
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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)

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


(Homo sapiens (Human))
BDBM50249228
PNG
(CHEMBL4075319)
Show SMILES COc1nsc(n1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
Show InChI InChI=1/C22H26N4O5S/c1-13-14(3-4-15-16(13)12-31-18(15)28)17(27)11-25-8-5-22(6-9-25)7-10-26(19(22)29)21-23-20(30-2)24-32-21/h3-4,17,27H,5-12H2,1-2H3/t17-/s2
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n/an/a 17n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method


Bioorg Med Chem Lett 27: 2559-2566 (2017)

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


(Homo sapiens (Human))
BDBM50249183
PNG
(CHEMBL4069245)
Show SMILES Cc1c2COC(=O)c2ccc1[C@@H](O)CN1CCC2(CCN(C2=O)c2ccc(=O)n(C)n2)CC1
Show InChI InChI=1/C24H28N4O5/c1-15-16(3-4-17-18(15)14-33-22(17)31)19(29)13-27-10-7-24(8-11-27)9-12-28(23(24)32)20-5-6-21(30)26(2)25-20/h3-6,19,29H,7-14H2,1-2H3/t19-/s2
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n/an/a 17n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK expressed in CHO cells at -70 mV holding potential after 6 mins by whole cell patch clamp Qpatch method


Bioorg Med Chem Lett 27: 2559-2566 (2017)

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


(Homo sapiens (Human))
BDBM50249216
PNG
(CHEMBL4075906)
Show SMILES Cc1cc(sn1)N1CCC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C1=O
Show InChI InChI=1/C23H27N3O4S/c1-14-11-20(31-24-14)26-10-7-23(22(26)29)5-8-25(9-6-23)12-19(27)16-3-4-17-18(15(16)2)13-30-21(17)28/h3-4,11,19,27H,5-10,12-13H2,1-2H3/t19-/s2
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n/an/a 18n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of human ROMK channel expressed in HEK293 cells after 30 mins by FLIPR based thallium flux assay


Bioorg Med Chem Lett 27: 2559-2566 (2017)

More data for this
Ligand-Target Pair
Deoxycytidine kinase


(Homo sapiens (Human))
BDBM50311552
PNG
(2-(1-(6-(4-chlorophenoxy)pyrimidin-4-yl)piperidin-...)
Show SMILES Nc1nc(OC2CCN(CC2)c2cc(Oc3ccc(Cl)cc3)ncn2)ncc1F
Show InChI InChI=1S/C19H18ClFN6O2/c20-12-1-3-13(4-2-12)28-17-9-16(24-11-25-17)27-7-5-14(6-8-27)29-19-23-10-15(21)18(22)26-19/h1-4,9-11,14H,5-8H2,(H2,22,23,26)
PDB
MMDB

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PubMed
n/an/a 19n/an/an/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human dCK


Bioorg Med Chem Lett 19: 6780-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.082
BindingDB Entry DOI: 10.7270/Q2HM58K9
More data for this
Ligand-Target Pair
ATP-regulated potassium channel ROM-K


(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
Show InChI InChI=1/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
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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)

More data for this
Ligand-Target Pair
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