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PubMed code 31420268

Compile data set for download or QSAR
Found 21 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
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522195
PNG
(CHEMBL1592234)
Show SMILES Cc1ccc(cc1)-c1nc2Oc3c(C)cccc3Cc2c(SCC(=O)Nc2cccc(c2)C(O)=O)n1
Show InChI InChI=1S/C28H23N3O4S/c1-16-9-11-18(12-10-16)25-30-26-22(14-19-6-3-5-17(2)24(19)35-26)27(31-25)36-15-23(32)29-21-8-4-7-20(13-21)28(33)34/h3-13H,14-15H2,1-2H3,(H,29,32)(H,33,34)
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1.00E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells using uridine, phosphoenolpyruvate, N...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522195
PNG
(CHEMBL1592234)
Show SMILES Cc1ccc(cc1)-c1nc2Oc3c(C)cccc3Cc2c(SCC(=O)Nc2cccc(c2)C(O)=O)n1
Show InChI InChI=1S/C28H23N3O4S/c1-16-9-11-18(12-10-16)25-30-26-22(14-19-6-3-5-17(2)24(19)35-26)27(31-25)36-15-23(32)29-21-8-4-7-20(13-21)28(33)34/h3-13H,14-15H2,1-2H3,(H,29,32)(H,33,34)
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3.50E+3n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells using phosphoenolpyruvate, NADH and v...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522193
PNG
(CHEMBL4553820)
Show SMILES Fc1ccc(cc1)-n1[nH]cc2c1nc(SCC(=O)Nc1ccc(Br)cc1)nc2=O
Show InChI InChI=1S/C19H13BrFN5O2S/c20-11-1-5-13(6-2-11)23-16(27)10-29-19-24-17-15(18(28)25-19)9-22-26(17)14-7-3-12(21)4-8-14/h1-9,22H,10H2,(H,23,27)
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1.20E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells using uridine, phosphoenolpyruvate, N...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522193
PNG
(CHEMBL4553820)
Show SMILES Fc1ccc(cc1)-n1[nH]cc2c1nc(SCC(=O)Nc1ccc(Br)cc1)nc2=O
Show InChI InChI=1S/C19H13BrFN5O2S/c20-11-1-5-13(6-2-11)23-16(27)10-29-19-24-17-15(18(28)25-19)9-22-26(17)14-7-3-12(21)4-8-14/h1-9,22H,10H2,(H,23,27)
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1.30E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells using phosphoenolpyruvate, NADH and v...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522198
PNG
(CHEMBL4434988)
Show SMILES Cc1cc(C)cc(NC(=O)CSCn2[nH]nc3c2nc(Cc2ccc(F)cc2)nc3=O)c1
Show InChI InChI=1S/C22H21FN6O2S/c1-13-7-14(2)9-17(8-13)24-19(30)11-32-12-29-21-20(27-28-29)22(31)26-18(25-21)10-15-3-5-16(23)6-4-15/h3-9,28H,10-12H2,1-2H3,(H,24,30)
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3.10E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells using uridine, phosphoenolpyruvate, N...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522198
PNG
(CHEMBL4434988)
Show SMILES Cc1cc(C)cc(NC(=O)CSCn2[nH]nc3c2nc(Cc2ccc(F)cc2)nc3=O)c1
Show InChI InChI=1S/C22H21FN6O2S/c1-13-7-14(2)9-17(8-13)24-19(30)11-32-12-29-21-20(27-28-29)22(31)26-18(25-21)10-15-3-5-16(23)6-4-15/h3-9,28H,10-12H2,1-2H3,(H,24,30)
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5.00E+4n/an/an/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells using phosphoenolpyruvate, NADH and v...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522195
PNG
(CHEMBL1592234)
Show SMILES Cc1ccc(cc1)-c1nc2Oc3c(C)cccc3Cc2c(SCC(=O)Nc2cccc(c2)C(O)=O)n1
Show InChI InChI=1S/C28H23N3O4S/c1-16-9-11-18(12-10-16)25-30-26-22(14-19-6-3-5-17(2)24(19)35-26)27(31-25)36-15-23(32)29-21-8-4-7-20(13-21)28(33)34/h3-13H,14-15H2,1-2H3,(H,29,32)(H,33,34)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells using phosphoenolpyruvate, NADH, urid...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522195
PNG
(CHEMBL1592234)
Show SMILES Cc1ccc(cc1)-c1nc2Oc3c(C)cccc3Cc2c(SCC(=O)Nc2cccc(c2)C(O)=O)n1
Show InChI InChI=1S/C28H23N3O4S/c1-16-9-11-18(12-10-16)25-30-26-22(14-19-6-3-5-17(2)24(19)35-26)27(31-25)36-15-23(32)29-21-8-4-7-20(13-21)28(33)34/h3-13H,14-15H2,1-2H3,(H,29,32)(H,33,34)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522201
PNG
(CHEMBL4588628)
Show SMILES Cc1cccc2Cc3c(Oc12)nc(nc3SCC(=O)Nc1cccc(c1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H21N3O4S/c1-16-7-5-10-18-14-21-25(34-23(16)18)29-24(17-8-3-2-4-9-17)30-26(21)35-15-22(31)28-20-12-6-11-19(13-20)27(32)33/h2-13H,14-15H2,1H3,(H,28,31)(H,32,33)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522193
PNG
(CHEMBL4553820)
Show SMILES Fc1ccc(cc1)-n1[nH]cc2c1nc(SCC(=O)Nc1ccc(Br)cc1)nc2=O
Show InChI InChI=1S/C19H13BrFN5O2S/c20-11-1-5-13(6-2-11)23-16(27)10-29-19-24-17-15(18(28)25-19)9-22-26(17)14-7-3-12(21)4-8-14/h1-9,22H,10H2,(H,23,27)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522197
PNG
(CHEMBL4575982)
Show SMILES COc1cccc2Cc3c(Oc12)nc(nc3SCC(=O)Nc1cccc(c1)C(O)=O)-c1ccc(C)cc1
Show InChI InChI=1S/C28H23N3O5S/c1-16-9-11-17(12-10-16)25-30-26-21(14-18-5-4-8-22(35-2)24(18)36-26)27(31-25)37-15-23(32)29-20-7-3-6-19(13-20)28(33)34/h3-13H,14-15H2,1-2H3,(H,29,32)(H,33,34)
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n/an/a 1.18E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522193
PNG
(CHEMBL4553820)
Show SMILES Fc1ccc(cc1)-n1[nH]cc2c1nc(SCC(=O)Nc1ccc(Br)cc1)nc2=O
Show InChI InChI=1S/C19H13BrFN5O2S/c20-11-1-5-13(6-2-11)23-16(27)10-29-19-24-17-15(18(28)25-19)9-22-26(17)14-7-3-12(21)4-8-14/h1-9,22H,10H2,(H,23,27)
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n/an/a 1.64E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522198
PNG
(CHEMBL4434988)
Show SMILES Cc1cc(C)cc(NC(=O)CSCn2[nH]nc3c2nc(Cc2ccc(F)cc2)nc3=O)c1
Show InChI InChI=1S/C22H21FN6O2S/c1-13-7-14(2)9-17(8-13)24-19(30)11-32-12-29-21-20(27-28-29)22(31)26-18(25-21)10-15-3-5-16(23)6-4-15/h3-9,28H,10-12H2,1-2H3,(H,24,30)
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n/an/a 1.89E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522196
PNG
(CHEMBL4589970)
Show SMILES Cc1ccc(cc1)-c1nc2Oc3c(C)cccc3Cc2c(SCC(=O)Nc2ccccc2)n1
Show InChI InChI=1S/C27H23N3O2S/c1-17-11-13-19(14-12-17)25-29-26-22(15-20-8-6-7-18(2)24(20)32-26)27(30-25)33-16-23(31)28-21-9-4-3-5-10-21/h3-14H,15-16H2,1-2H3,(H,28,31)
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n/an/a 2.68E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522198
PNG
(CHEMBL4434988)
Show SMILES Cc1cc(C)cc(NC(=O)CSCn2[nH]nc3c2nc(Cc2ccc(F)cc2)nc3=O)c1
Show InChI InChI=1S/C22H21FN6O2S/c1-13-7-14(2)9-17(8-13)24-19(30)11-32-12-29-21-20(27-28-29)22(31)26-18(25-21)10-15-3-5-16(23)6-4-15/h3-9,28H,10-12H2,1-2H3,(H,24,30)
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n/an/a 4.80E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522195
PNG
(CHEMBL1592234)
Show SMILES Cc1ccc(cc1)-c1nc2Oc3c(C)cccc3Cc2c(SCC(=O)Nc2cccc(c2)C(O)=O)n1
Show InChI InChI=1S/C28H23N3O4S/c1-16-9-11-18(12-10-16)25-30-26-22(14-19-6-3-5-17(2)24(19)35-26)27(31-25)36-15-23(32)29-21-8-4-7-20(13-21)28(33)34/h3-13H,14-15H2,1-2H3,(H,29,32)(H,33,34)
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n/an/a 5.20E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522194
PNG
(CHEMBL1564286)
Show SMILES COc1ccccc1NC(=O)CSc1nc(-c2ccc(cc2)C(C)(C)C)c(C#N)c(=O)[nH]1
Show InChI InChI=1S/C24H24N4O3S/c1-24(2,3)16-11-9-15(10-12-16)21-17(13-25)22(30)28-23(27-21)32-14-20(29)26-18-7-5-6-8-19(18)31-4/h5-12H,14H2,1-4H3,(H,26,29)(H,27,28,30)
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n/an/a 8.00E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522199
PNG
(CHEMBL4564613)
Show SMILES Cc1ccccc1NC(=O)CSCn1[nH]nc2c1nc(Cc1ccc(F)cc1)nc2=O
Show InChI InChI=1S/C21H19FN6O2S/c1-13-4-2-3-5-16(13)23-18(29)11-31-12-28-20-19(26-27-28)21(30)25-17(24-20)10-14-6-8-15(22)9-7-14/h2-9,27H,10-12H2,1H3,(H,23,29)
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n/an/a 1.37E+5n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522200
PNG
(CHEMBL1514618)
Show SMILES CC(C)(C)c1ccc(cc1)-c1nc(SCC(=O)Nc2ccc(Cl)cc2)[nH]c(=O)c1C#N
Show InChI InChI=1S/C23H21ClN4O2S/c1-23(2,3)15-6-4-14(5-7-15)20-18(12-25)21(30)28-22(27-20)31-13-19(29)26-17-10-8-16(24)9-11-17/h4-11H,13H2,1-3H3,(H,26,29)(H,27,28,30)
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n/an/a 1.38E+5n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM48877
PNG
(3-[({[2-(4-fluorophenyl)-5H-chromeno[2,3-d]pyrimid...)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C26H18FN3O4S/c27-18-10-8-15(9-11-18)23-29-24-20(13-16-4-1-2-7-21(16)34-24)25(30-23)35-14-22(31)28-19-6-3-5-17(12-19)26(32)33/h1-12H,13-14H2,(H,28,31)(H,32,33)
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Article
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n/an/a 1.66E+5n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
Uridine-cytidine kinase 2


(Homo sapiens)
BDBM50522202
PNG
(CHEMBL4457001)
Show SMILES OC(=O)c1cccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccc(O)cc2)c1
Show InChI InChI=1S/C26H19N3O5S/c30-19-10-8-15(9-11-19)23-28-24-20(13-16-4-1-2-7-21(16)34-24)25(29-23)35-14-22(31)27-18-6-3-5-17(12-18)26(32)33/h1-12,30H,13-14H2,(H,27,31)(H,32,33)
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n/an/a 1.66E+5n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of C-terminally His6-tagged human UCK2 expressed in Escherichia coli BL21(DE3) cells incubated for 15 mins before ATP addition and measure...


Bioorg Med Chem Lett 29: 2559-2564 (2019)


Article DOI: 10.1016/j.bmcl.2019.08.010
BindingDB Entry DOI: 10.7270/Q2DZ0CQZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%