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Compile Data Set for Download or QSAR

Found 99 hits with Last Name = 'birkus' and Initial = 'g'   
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
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200009
PNG
(CHEMBL3923414)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 0.980n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200098
PNG
(CHEMBL3930509)
Show SMILES COc1ccc(cc1S(=O)(=O)N(C)C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 2.40n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200012
PNG
(CHEMBL3958915)
Show SMILES CCC(CO)NS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCc3ccnc(CC)c3)cc(Cl)nn12
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n/an/a 5.30n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199888
PNG
(CHEMBL3976651)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCO)ccn1
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n/an/a 6.10n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199891
PNG
(CHEMBL3920652)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCC(O)CC2)ccn1
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n/an/a 6.20n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200000
PNG
(CHEMBL3911522)
Show SMILES CCC(CO)NS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 7.20n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200097
PNG
(CHEMBL3939697)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCC=C)ccn1
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n/an/a 8.60n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199889
PNG
(CHEMBL3957128)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCN(C)C)ccn1
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n/an/a 9n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200004
PNG
(CHEMBL3959713)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2cccc(c2)S(=O)(=O)N(C)C)ccn1
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n/an/a 13n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199998
PNG
(CHEMBL3902513)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCC(CO)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 15n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200101
PNG
(CHEMBL3947384)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NC2CCC(N)CC2)ccn1 |(11.1,-17.02,;11.1,-18.55,;9.77,-19.32,;9.77,-20.86,;8.43,-21.63,;8.43,-23.17,;9.77,-23.94,;9.77,-25.48,;8.43,-26.25,;8.43,-27.79,;7.1,-28.56,;9.77,-28.56,;11.1,-27.79,;12.56,-28.27,;13.48,-27.02,;15.02,-27.02,;12.56,-25.77,;11.1,-26.25,;13.04,-29.73,;12.01,-30.88,;12.48,-32.34,;13.99,-32.66,;14.47,-34.12,;13.44,-35.27,;15.03,-31.52,;14.55,-30.05,;16.53,-31.83,;16.92,-30.34,;18.02,-31.43,;17.22,-33.21,;18.76,-33.29,;19.46,-34.66,;21,-34.74,;21.84,-33.45,;23.38,-33.53,;21.14,-32.07,;19.6,-32,;7.1,-20.86,;7.1,-19.32,;8.43,-18.55,)|
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n/an/a 16n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200005
PNG
(CHEMBL3929556)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCOC)ccn1
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n/an/a 17n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200105
PNG
(CHEMBL3894217)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCOCC2)ccn1
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n/an/a 18n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200103
PNG
(CHEMBL3948449)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)n2cccn2)ccn1
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n/an/a 19n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200096
PNG
(CHEMBL3893537)
Show SMILES COc1ccc(cc1S(=O)(=O)NCC=C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 20n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199892
PNG
(CHEMBL3889874)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 22n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199996
PNG
(CHEMBL3915835)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3ccncc3)cc(Cl)nn12
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n/an/a 26n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200007
PNG
(CHEMBL3925101)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N(C)C)ccn1
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n/an/a 27n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199999
PNG
(CHEMBL3986552)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCC(N)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 |(11.76,-30.3,;12.78,-29.15,;12.29,-27.69,;10.78,-27.38,;10.29,-25.92,;11.32,-24.77,;12.83,-25.08,;13.31,-26.54,;14.81,-26.85,;15.21,-25.35,;16.3,-26.44,;15.39,-28.28,;16.93,-28.33,;17.65,-29.69,;19.18,-29.75,;20,-28.44,;21.54,-28.5,;19.28,-27.08,;17.73,-27.02,;10.83,-23.31,;11.73,-22.06,;13.27,-22.04,;10.82,-20.81,;9.35,-21.3,;8.01,-20.54,;8.01,-19,;6.67,-18.23,;5.34,-19.01,;4,-18.25,;3.99,-16.71,;2.65,-15.95,;5.32,-15.93,;6.69,-21.31,;6.69,-22.85,;5.37,-23.63,;8.04,-23.62,;9.37,-22.84,)|
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n/an/a 27n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200100
PNG
(CHEMBL3905730)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3ccnc(C)c3)cc(Cl)nn12
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n/an/a 34n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200104
PNG
(CHEMBL3969997)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCC(CO)CC2)ccn1
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n/an/a 42n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200001
PNG
(CHEMBL3921556)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCC(O)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 44n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350205
PNG
(CHEMBL1814774)
Show SMILES Nc1ncnc2n(cc(-c3cn[nH]c3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C14H16N6O4/c15-12-9-7(6-1-18-19-2-6)3-20(13(9)17-5-16-12)14-11(23)10(22)8(4-21)24-14/h1-3,5,8,10-11,14,21-23H,4H2,(H,18,19)(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Carboxylesterase


(Sus scrofa)
BDBM50022772
PNG
(CHEMBL1025 | Diisopropoxyphosphoryl fluoride | Dii...)
Show SMILES CC(C)OP(F)(=O)OC(C)C
Show InChI InChI=1S/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
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n/an/a 50n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of porcine liver carboxylesterase using [14C]GS7340 substrate


Antimicrob Agents Chemother 51: 543-50 (2007)


Article DOI: 10.1128/AAC.00968-06
BindingDB Entry DOI: 10.7270/Q2ZG6RW5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199887
PNG
(CHEMBL3914714)
Show SMILES CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 54n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200008
PNG
(CHEMBL3898792)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NC2CC2)ccn1
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n/an/a 56n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199995
PNG
(CHEMBL3938589)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCCCC2)ccn1
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n/an/a 59n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200011
PNG
(CHEMBL3933495)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3cccnc3)cc(Cl)nn12
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n/an/a 75n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200010
PNG
(CHEMBL3965171)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCN(C)C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 94n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199886
PNG
(CHEMBL3939491)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 106n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200095
PNG
(CHEMBL3932492)
Show SMILES COCCNS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 135n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199964
PNG
(CHEMBL3924835)
Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3ccccn3)cc(Cl)nn12
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n/an/a 145n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199997
PNG
(CHEMBL3948269)
Show SMILES CNCCNS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 147n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200002
PNG
(CHEMBL3959992)
Show SMILES COc1ccc(cc1S(=O)(=O)n1cccn1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 163n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50200022
PNG
(CHEMBL3978329)
Show SMILES COc1ccc(cc1S(=O)(=O)N1CCCCC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
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n/an/a 189n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350207
PNG
(CHEMBL1814776)
Show SMILES Nc1ncnc2n(cc(C#C)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C13H14N4O4/c1-2-6-3-17(12-8(6)11(14)15-5-16-12)13-10(20)9(19)7(4-18)21-13/h1,3,5,7,9-10,13,18-20H,4H2,(H2,14,15,16)/t7-,9-,10-,13-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4-kinase beta


(Homo sapiens (Human))
BDBM50199890
PNG
(CHEMBL3942710)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)cc2)ccn1
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n/an/a 444n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50199899
PNG
(CHEMBL3901551)
Show SMILES CC(C)(C)OC(=O)CCNC(=O)Nc1nc2CCc3cnc(nc3-c2s1)-c1ccccc1Cl
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n/an/a 450n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged PI4KA (875 to 2044 residues) (unknown origin) expressed in Sf21 cells using soluble lipid PI-diC8 by fluorescence...


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50200101
PNG
(CHEMBL3947384)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NC2CCC(N)CC2)ccn1 |(11.1,-17.02,;11.1,-18.55,;9.77,-19.32,;9.77,-20.86,;8.43,-21.63,;8.43,-23.17,;9.77,-23.94,;9.77,-25.48,;8.43,-26.25,;8.43,-27.79,;7.1,-28.56,;9.77,-28.56,;11.1,-27.79,;12.56,-28.27,;13.48,-27.02,;15.02,-27.02,;12.56,-25.77,;11.1,-26.25,;13.04,-29.73,;12.01,-30.88,;12.48,-32.34,;13.99,-32.66,;14.47,-34.12,;13.44,-35.27,;15.03,-31.52,;14.55,-30.05,;16.53,-31.83,;16.92,-30.34,;18.02,-31.43,;17.22,-33.21,;18.76,-33.29,;19.46,-34.66,;21,-34.74,;21.84,-33.45,;23.38,-33.53,;21.14,-32.07,;19.6,-32,;7.1,-20.86,;7.1,-19.32,;8.43,-18.55,)|
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n/an/a 553n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Cathepsin A (CTSA)


(Homo sapiens (Human))
BDBM50199883
PNG
(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Show SMILES Clc1oc(=O)c2ccccc2c1Cl
Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
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n/an/a 600n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant CatA using [14C]GS7340 substrate


Antimicrob Agents Chemother 51: 543-50 (2007)


Article DOI: 10.1128/AAC.00968-06
BindingDB Entry DOI: 10.7270/Q2ZG6RW5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50199999
PNG
(CHEMBL3986552)
Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCC(N)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 |(11.76,-30.3,;12.78,-29.15,;12.29,-27.69,;10.78,-27.38,;10.29,-25.92,;11.32,-24.77,;12.83,-25.08,;13.31,-26.54,;14.81,-26.85,;15.21,-25.35,;16.3,-26.44,;15.39,-28.28,;16.93,-28.33,;17.65,-29.69,;19.18,-29.75,;20,-28.44,;21.54,-28.5,;19.28,-27.08,;17.73,-27.02,;10.83,-23.31,;11.73,-22.06,;13.27,-22.04,;10.82,-20.81,;9.35,-21.3,;8.01,-20.54,;8.01,-19,;6.67,-18.23,;5.34,-19.01,;4,-18.25,;3.99,-16.71,;2.65,-15.95,;5.32,-15.93,;6.69,-21.31,;6.69,-22.85,;5.37,-23.63,;8.04,-23.62,;9.37,-22.84,)|
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n/an/a 660n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50199889
PNG
(CHEMBL3957128)
Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCN(C)C)ccn1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50164648
PNG
(2'-deoxythymidine triphosphate | 5'-TTP | CHEMBL36...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL




Bioorg Med Chem Lett 27: 1840-1847 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.037
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase beta


(Homo sapiens (Human))
BDBM50335554
PNG
(({[({[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)e...)
Show SMILES Nc1nc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H14N5O11P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-22-4-25(15,16)23-27(20,21)24-26(17,18)19/h3H,1-2,4H2,(H,15,16)(H,20,21)(H2,17,18,19)(H3,9,11,12,14)
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n/an/a 1.60E+3n/an/an/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta by microplate reader analysis


Antimicrob Agents Chemother 53: 2777-84 (2009)


Article DOI: 10.1128/AAC.00103-09
BindingDB Entry DOI: 10.7270/Q2M32W2N
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350199
PNG
(CHEMBL1814767)
Show SMILES Nc1ncnc2n(cc(-c3ccco3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H16N4O5/c16-13-10-7(8-2-1-3-23-8)4-19(14(10)18-6-17-13)15-12(22)11(21)9(5-20)24-15/h1-4,6,9,11-12,15,20-22H,5H2,(H2,16,17,18)/t9-,11-,12-,15-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350195
PNG
(CHEMBL1814763)
Show SMILES COc1ccc(cc1)-c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C18H20N4O5/c1-26-10-4-2-9(3-5-10)11-6-22(17-13(11)16(19)20-8-21-17)18-15(25)14(24)12(7-23)27-18/h2-6,8,12,14-15,18,23-25H,7H2,1H3,(H2,19,20,21)/t12-,14-,15-,18-/m1/s1
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n/an/a>2.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50335554
PNG
(({[({[2-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)e...)
Show SMILES Nc1nc2n(CCOCP(O)(=O)OP(O)(=O)OP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H14N5O11P3/c9-8-11-6-5(7(14)12-8)10-3-13(6)1-2-22-4-25(15,16)23-27(20,21)24-26(17,18)19/h3H,1-2,4H2,(H,15,16)(H,20,21)(H2,17,18,19)(H3,9,11,12,14)
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n/an/a 2.50E+3n/an/an/an/an/an/a



USA.

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha by microplate reader analysis


Antimicrob Agents Chemother 53: 2777-84 (2009)


Article DOI: 10.1128/AAC.00103-09
BindingDB Entry DOI: 10.7270/Q2M32W2N
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50199883
PNG
(3,4‐Dichloroisocoumarin (2) | 3,4-Dichloro-i...)
Show SMILES Clc1oc(=O)c2ccccc2c1Cl
Show InChI InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H
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n/an/a 3.00E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human leukocyte elastase using [14C]GS7340 substrate


Antimicrob Agents Chemother 51: 543-50 (2007)


Article DOI: 10.1128/AAC.00968-06
BindingDB Entry DOI: 10.7270/Q2ZG6RW5
More data for this
Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA)


(Homo sapiens (Human))
BDBM50200010
PNG
(CHEMBL3965171)
Show SMILES COc1ccc(cc1S(=O)(=O)NCCN(C)C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12
PDB

UniProtKB/SwissProt

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PC sid
UniChem
Article
PubMed
n/an/a 4.86E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of PI4KA (unknown origin) by ADP-Glo kinase assay


J Med Chem 60: 100-118 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01465
BindingDB Entry DOI: 10.7270/Q28054K8
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50350194
PNG
(CHEMBL1814762)
Show SMILES Nc1ncnc2n(cc(-c3ccccc3)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H18N4O4/c18-15-12-10(9-4-2-1-3-5-9)6-21(16(12)20-8-19-15)17-14(24)13(23)11(7-22)25-17/h1-6,8,11,13-14,17,22-24H,7H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of human ADK using [3H]-adenosine by scintillation counting


J Med Chem 54: 5498-507 (2011)


Article DOI: 10.1021/jm2005173
BindingDB Entry DOI: 10.7270/Q2BK1CQX
More data for this
Ligand-Target Pair
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