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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'fyiad' and Initial = 'aa'   
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
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50252231
PNG
(CHEMBL4072515)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(=O)NCc2ccccc2)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C31H24N6O4/c1-20-28(37(39)40)31(36(35-20)24-10-6-3-7-11-24)41-25-15-12-22(13-16-25)29-33-26-17-14-23(18-27(26)34-29)30(38)32-19-21-8-4-2-5-9-21/h2-18H,19H2,1H3,(H,32,38)(H,33,34)
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n/an/a 5.5n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis


Eur J Med Chem 134: 392-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.090
BindingDB Entry DOI: 10.7270/Q27P91T8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50252253
PNG
(CHEMBL4093249)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(=O)NC2CCCCC2)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C30H28N6O4/c1-19-27(36(38)39)30(35(34-19)23-10-6-3-7-11-23)40-24-15-12-20(13-16-24)28-32-25-17-14-21(18-26(25)33-28)29(37)31-22-8-4-2-5-9-22/h3,6-7,10-18,22H,2,4-5,8-9H2,1H3,(H,31,37)(H,32,33)
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n/an/a 6.90n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis


Eur J Med Chem 134: 392-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.090
BindingDB Entry DOI: 10.7270/Q27P91T8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291408
PNG
(CHEMBL4165600)
Show SMILES COc1ccc(N\N=C\c2c(C)nn(c2Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)-c2ccccc2)cc1
Show InChI InChI=1S/C32H26N6O4/c1-20-27(19-33-36-23-11-15-25(41-2)16-12-23)31(38(37-20)24-6-4-3-5-7-24)42-26-13-8-21(9-14-26)30-34-28-17-10-22(32(39)40)18-29(28)35-30/h3-19,36H,1-2H3,(H,34,35)(H,39,40)/b33-19+
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n/an/a 10n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291372
PNG
(CHEMBL4177291)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1\C=N\NC(N)=S)-c1ccccc1
Show InChI InChI=1S/C25H20N8O3S/c1-15-20(14-27-30-25(26)37)24(32(31-15)17-5-3-2-4-6-17)36-19-10-7-16(8-11-19)23-28-21-12-9-18(33(34)35)13-22(21)29-23/h2-14H,1H3,(H,28,29)(H3,26,30,37)/b27-14+
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n/an/a 11n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291380
PNG
(CHEMBL4170221)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1\C=N\NC(N)=O)-c1ccccc1
Show InChI InChI=1S/C26H22N8O3/c1-15-20(14-29-32-26(28)36)25(34(33-15)18-5-3-2-4-6-18)37-19-10-7-16(8-11-19)24-30-21-12-9-17(23(27)35)13-22(21)31-24/h2-14H,1H3,(H2,27,35)(H,30,31)(H3,28,32,36)/b29-14+
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n/an/a 11n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291376
PNG
(CHEMBL4170505)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1\C=N\Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C30H23N7O3/c1-20-26(19-31-34-22-8-4-2-5-9-22)30(36(35-20)23-10-6-3-7-11-23)40-25-15-12-21(13-16-25)29-32-27-17-14-24(37(38)39)18-28(27)33-29/h2-19,34H,1H3,(H,32,33)/b31-19+
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n/an/a 12n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291405
PNG
(CHEMBL4173655)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1\C=N\NC(N)=S)-c1ccccc1
Show InChI InChI=1S/C26H21N7O3S/c1-15-20(14-28-31-26(27)37)24(33(32-15)18-5-3-2-4-6-18)36-19-10-7-16(8-11-19)23-29-21-12-9-17(25(34)35)13-22(21)30-23/h2-14H,1H3,(H,29,30)(H,34,35)(H3,27,31,37)/b28-14+
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n/an/a 13n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50252229
PNG
(CHEMBL4063921)
Show SMILES CNC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(Oc2c(c(C)nn2-c2ccccc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C25H20N6O4/c1-15-22(31(33)34)25(30(29-15)18-6-4-3-5-7-18)35-19-11-8-16(9-12-19)23-27-20-13-10-17(24(32)26-2)14-21(20)28-23/h3-14H,1-2H3,(H,26,32)(H,27,28)
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n/an/a 15n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis


Eur J Med Chem 134: 392-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.090
BindingDB Entry DOI: 10.7270/Q27P91T8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50252230
PNG
(CHEMBL4085496)
Show SMILES CC(C)NC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(Oc2c(c(C)nn2-c2ccccc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C27H24N6O4/c1-16(2)28-26(34)19-11-14-22-23(15-19)30-25(29-22)18-9-12-21(13-10-18)37-27-24(33(35)36)17(3)31-32(27)20-7-5-4-6-8-20/h4-16H,1-3H3,(H,28,34)(H,29,30)
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n/an/a 18n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis


Eur J Med Chem 134: 392-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.090
BindingDB Entry DOI: 10.7270/Q27P91T8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291406
PNG
(CHEMBL4165737)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1\C=N\NC(N)=O)-c1ccccc1
Show InChI InChI=1S/C26H21N7O4/c1-15-20(14-28-31-26(27)36)24(33(32-15)18-5-3-2-4-6-18)37-19-10-7-16(8-11-19)23-29-21-12-9-17(25(34)35)13-22(21)30-23/h2-14H,1H3,(H,29,30)(H,34,35)(H3,27,31,36)/b28-14+
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n/an/a 26n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291383
PNG
(CHEMBL4177437)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1\C=N\Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H25N7O2/c1-20-26(19-33-36-23-8-4-2-5-9-23)31(38(37-20)24-10-6-3-7-11-24)40-25-15-12-21(13-16-25)30-34-27-17-14-22(29(32)39)18-28(27)35-30/h2-19,36H,1H3,(H2,32,39)(H,34,35)/b33-19+
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n/an/a 28n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291384
PNG
(CHEMBL4177025)
Show SMILES Cc1nn(c(Sc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1\C=N\NC(N)=O)-c1ccccc1
Show InChI InChI=1S/C26H21N7O3S/c1-15-20(14-28-31-26(27)36)24(33(32-15)18-5-3-2-4-6-18)37-19-10-7-16(8-11-19)23-29-21-12-9-17(25(34)35)13-22(21)30-23/h2-14H,1H3,(H,29,30)(H,34,35)(H3,27,31,36)/b28-14+
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n/an/a 28n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291381
PNG
(CHEMBL4162300)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1\C=N\Nc1ccc(cc1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C31H24N8O4/c1-19-26(18-33-36-22-10-12-24(13-11-22)39(41)42)31(38(37-19)23-5-3-2-4-6-23)43-25-14-7-20(8-15-25)30-34-27-16-9-21(29(32)40)17-28(27)35-30/h2-18,36H,1H3,(H2,32,40)(H,34,35)/b33-18+
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n/an/a 29n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50252228
PNG
(CHEMBL4090789)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C24H18N6O4/c1-14-21(30(32)33)24(29(28-14)17-5-3-2-4-6-17)34-18-10-7-15(8-11-18)23-26-19-12-9-16(22(25)31)13-20(19)27-23/h2-13H,1H3,(H2,25,31)(H,26,27)
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n/an/a 31n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis


Eur J Med Chem 134: 392-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.090
BindingDB Entry DOI: 10.7270/Q27P91T8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50163251
PNG
(2-(4-(4-hydroxyphenylthio)phenyl)-1H-benzo[d]imida...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Sc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H15N3O2S/c21-19(25)13-3-10-17-18(11-13)23-20(22-17)12-1-6-15(7-2-12)26-16-8-4-14(24)5-9-16/h1-11,24H,(H2,21,25)(H,22,23)
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n/an/a 32n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis


Eur J Med Chem 134: 392-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.090
BindingDB Entry DOI: 10.7270/Q27P91T8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50163251
PNG
(2-(4-(4-hydroxyphenylthio)phenyl)-1H-benzo[d]imida...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Sc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H15N3O2S/c21-19(25)13-3-10-17-18(11-13)23-20(22-17)12-1-6-15(7-2-12)26-16-8-4-14(24)5-9-16/h1-11,24H,(H2,21,25)(H,22,23)
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n/an/a 32n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291374
PNG
(CHEMBL4167099)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1\C=N\Nc1ccc(cc1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C30H22N8O5/c1-19-26(18-31-34-21-9-11-23(12-10-21)37(39)40)30(36(35-19)22-5-3-2-4-6-22)43-25-14-7-20(8-15-25)29-32-27-16-13-24(38(41)42)17-28(27)33-29/h2-18,34H,1H3,(H,32,33)/b31-18+
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n/an/a 32n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291379
PNG
(CHEMBL4160826)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1\C=N\NC(N)=S)-c1ccccc1
Show InChI InChI=1S/C26H22N8O2S/c1-15-20(14-29-32-26(28)37)25(34(33-15)18-5-3-2-4-6-18)36-19-10-7-16(8-11-19)24-30-21-12-9-17(23(27)35)13-22(21)31-24/h2-14H,1H3,(H2,27,35)(H,30,31)(H3,28,32,37)/b29-14+
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n/an/a 32n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50252227
PNG
(CHEMBL4100980)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1[N+]([O-])=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H16N6O5/c1-14-22(31(34)35)24(30(29-14)18-7-2-15(13-26)3-8-18)36-19-9-4-16(5-10-19)23-27-20-11-6-17(25(32)33)12-21(20)28-23/h2-12H,1H3,(H,27,28)(H,32,33)
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n/an/a 33n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis


Eur J Med Chem 134: 392-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.090
BindingDB Entry DOI: 10.7270/Q27P91T8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50252232
PNG
(CHEMBL4103039)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1[N+]([O-])=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H15N7O5/c1-14-22(31(34)35)24(29(28-14)17-6-2-15(13-25)3-7-17)36-19-9-4-16(5-10-19)23-26-20-11-8-18(30(32)33)12-21(20)27-23/h2-12H,1H3,(H,26,27)
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n/an/a 33n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis


Eur J Med Chem 134: 392-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.090
BindingDB Entry DOI: 10.7270/Q27P91T8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50252252
PNG
(CHEMBL4062848)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1[N+]([O-])=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H17N7O4/c1-14-22(32(34)35)25(31(30-14)18-7-2-15(13-26)3-8-18)36-19-9-4-16(5-10-19)24-28-20-11-6-17(23(27)33)12-21(20)29-24/h2-12H,1H3,(H2,27,33)(H,28,29)
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n/an/a 34n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis


Eur J Med Chem 134: 392-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.090
BindingDB Entry DOI: 10.7270/Q27P91T8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291419
PNG
(CHEMBL4173942)
Show SMILES Cc1nn(c(Sc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1\C=N\NC(N)=O)-c1ccccc1
Show InChI InChI=1S/C25H20N8O3S/c1-15-20(14-27-30-25(26)34)24(32(31-15)17-5-3-2-4-6-17)37-19-10-7-16(8-11-19)23-28-21-12-9-18(33(35)36)13-22(21)29-23/h2-14H,1H3,(H,28,29)(H3,26,30,34)/b27-14+
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n/an/a 35n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291375
PNG
(CHEMBL4162573)
Show SMILES COc1ccc(N\N=C\c2c(C)nn(c2Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)-c2ccccc2)cc1
Show InChI InChI=1S/C31H25N7O4/c1-20-27(19-32-35-22-10-15-25(41-2)16-11-22)31(37(36-20)23-6-4-3-5-7-23)42-26-13-8-21(9-14-26)30-33-28-17-12-24(38(39)40)18-29(28)34-30/h3-19,35H,1-2H3,(H,33,34)/b32-19+
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n/an/a 36n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291407
PNG
(CHEMBL4176212)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1\C=N\Nc1ccc(cc1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C31H23N7O5/c1-19-26(18-32-35-22-10-12-24(13-11-22)38(41)42)30(37(36-19)23-5-3-2-4-6-23)43-25-14-7-20(8-15-25)29-33-27-16-9-21(31(39)40)17-28(27)34-29/h2-18,35H,1H3,(H,33,34)(H,39,40)/b32-18+
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n/an/a 40n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291373
PNG
(CHEMBL4159185)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1\C=N\NC(N)=O)-c1ccccc1
Show InChI InChI=1S/C25H20N8O4/c1-15-20(14-27-30-25(26)34)24(32(31-15)17-5-3-2-4-6-17)37-19-10-7-16(8-11-19)23-28-21-12-9-18(33(35)36)13-22(21)29-23/h2-14H,1H3,(H,28,29)(H3,26,30,34)/b27-14+
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n/an/a 42n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291377
PNG
(CHEMBL4175850)
Show SMILES Cc1nn(c(Sc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1\C=N\NC(N)=O)-c1ccccc1
Show InChI InChI=1S/C26H22N8O2S/c1-15-20(14-29-32-26(28)36)25(34(33-15)18-5-3-2-4-6-18)37-19-10-7-16(8-11-19)24-30-21-12-9-17(23(27)35)13-22(21)31-24/h2-14H,1H3,(H2,27,35)(H,30,31)(H3,28,32,36)/b29-14+
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n/an/a 42n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291371
PNG
(CHEMBL4169439)
Show SMILES CC(=O)N\N=C\c1c(C)nn(c1Oc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C26H21N7O4/c1-16-22(15-27-30-17(2)34)26(32(31-16)19-6-4-3-5-7-19)37-21-11-8-18(9-12-21)25-28-23-13-10-20(33(35)36)14-24(23)29-25/h3-15H,1-2H3,(H,28,29)(H,30,34)/b27-15+
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n/an/a 44n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291385
PNG
(CHEMBL4169171)
Show SMILES CC(=O)N\N=C\c1c(C)nn(c1Oc1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C27H22N6O4/c1-16-22(15-28-31-17(2)34)26(33(32-16)20-6-4-3-5-7-20)37-21-11-8-18(9-12-21)25-29-23-13-10-19(27(35)36)14-24(23)30-25/h3-15H,1-2H3,(H,29,30)(H,31,34)(H,35,36)/b28-15+
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n/an/a 46n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50252234
PNG
(CHEMBL4083002)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C24H17N5O5/c1-14-21(29(32)33)23(28(27-14)17-5-3-2-4-6-17)34-18-10-7-15(8-11-18)22-25-19-12-9-16(24(30)31)13-20(19)26-22/h2-13H,1H3,(H,25,26)(H,30,31)
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n/an/a 48n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis


Eur J Med Chem 134: 392-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.090
BindingDB Entry DOI: 10.7270/Q27P91T8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291378
PNG
(CHEMBL4168756)
Show SMILES CC(=O)N\N=C\c1c(C)nn(c1Oc1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(N)=O)-c1ccccc1
Show InChI InChI=1S/C27H23N7O3/c1-16-22(15-29-32-17(2)35)27(34(33-16)20-6-4-3-5-7-20)37-21-11-8-18(9-12-21)26-30-23-13-10-19(25(28)36)14-24(23)31-26/h3-15H,1-2H3,(H2,28,36)(H,30,31)(H,32,35)/b29-15+
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n/an/a 49n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50252233
PNG
(CHEMBL4076911)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C23H16N6O5/c1-14-21(29(32)33)23(27(26-14)16-5-3-2-4-6-16)34-18-10-7-15(8-11-18)22-24-19-12-9-17(28(30)31)13-20(19)25-22/h2-13H,1H3,(H,24,25)
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n/an/a 53n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by ELISA based spectrophotometric analysis


Eur J Med Chem 134: 392-405 (2017)


Article DOI: 10.1016/j.ejmech.2017.03.090
BindingDB Entry DOI: 10.7270/Q27P91T8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291382
PNG
(CHEMBL4166813)
Show SMILES COc1ccc(N\N=C\c2c(C)nn(c2Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)-c2ccccc2)cc1
Show InChI InChI=1S/C32H27N7O3/c1-20-27(19-34-37-23-11-15-25(41-2)16-12-23)32(39(38-20)24-6-4-3-5-7-24)42-26-13-8-21(9-14-26)31-35-28-17-10-22(30(33)40)18-29(28)36-31/h3-19,37H,1-2H3,(H2,33,40)(H,35,36)/b34-19+
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n/an/a 53n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50291409
PNG
(CHEMBL4166017)
Show SMILES Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1\C=N\Nc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H24N6O3/c1-20-26(19-32-35-23-8-4-2-5-9-23)30(37(36-20)24-10-6-3-7-11-24)40-25-15-12-21(13-16-25)29-33-27-17-14-22(31(38)39)18-28(27)34-29/h2-19,35H,1H3,(H,33,34)(H,38,39)/b32-19+
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n/an/a 65n/an/an/an/an/an/a



National Research Centre

Curated by ChEMBL


Assay Description
Inhibition of Chk2 (unknown origin) by spectrophotometric analysis


Eur J Med Chem 144: 859-873 (2018)


Article DOI: 10.1016/j.ejmech.2017.12.023
BindingDB Entry DOI: 10.7270/Q2KD21F1
More data for this
Ligand-Target Pair