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Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'neff' and Initial = 'dk'   
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))
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 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
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 2.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163246
PNG
(2-[4-(3,4-Dichloro-phenylsulfamoyl)-phenyl]-1H-ben...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H14Cl2N4O3S/c21-15-7-4-13(10-16(15)22)26-30(28,29)14-5-1-11(2-6-14)20-24-17-8-3-12(19(23)27)9-18(17)25-20/h1-10,26H,(H2,23,27)(H,24,25)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163259
PNG
(2-[4-(3-Chloro-4-methyl-phenoxy)-phenyl]-1H-benzoi...)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1Cl
Show InChI InChI=1S/C21H16ClN3O2/c1-12-2-6-16(11-17(12)22)27-15-7-3-13(4-8-15)21-24-18-9-5-14(20(23)26)10-19(18)25-21/h2-11H,1H3,(H2,23,26)(H,24,25)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163254
PNG
(2-[4-(4-Chloro-3-trifluoromethyl-phenoxy)-phenyl]-...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H13ClF3N3O2/c22-16-7-6-14(10-15(16)21(23,24)25)30-13-4-1-11(2-5-13)20-27-17-8-3-12(19(26)29)9-18(17)28-20/h1-10H,(H2,26,29)(H,27,28)
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n/an/a 4.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163266
PNG
(2-[4-(3,4-Dichloro-phenoxy)-phenyl]-1H-benzoimidaz...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
Show InChI InChI=1S/C20H13Cl2N3O2/c21-15-7-6-14(10-16(15)22)27-13-4-1-11(2-5-13)20-24-17-8-3-12(19(23)26)9-18(17)25-20/h1-10H,(H2,23,26)(H,24,25)
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n/an/a 5.5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163264
PNG
(2-[4-(4-Chloro-benzenesulfonyl)-phenyl]-1H-benzoim...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClN3O3S/c21-14-4-8-16(9-5-14)28(26,27)15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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n/an/a 6.60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163255
PNG
(2-[4-(4-Chloro-phenylsulfanyl)-phenyl]-1H-benzoimi...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Sc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H14ClN3OS/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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n/an/a 8.20n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163282
PNG
(2-[4-(4-Chloro-3-hydroxy-phenoxy)-phenyl]-1H-benzo...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)c(O)c2)cc1
Show InChI InChI=1S/C20H14ClN3O3/c21-15-7-6-14(10-18(15)25)27-13-4-1-11(2-5-13)20-23-16-8-3-12(19(22)26)9-17(16)24-20/h1-10,25H,(H2,22,26)(H,23,24)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163278
PNG
(2-[4-(Naphthalen-2-yloxy)-phenyl]-1H-benzoimidazol...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C24H17N3O2/c25-23(28)18-8-12-21-22(14-18)27-24(26-21)16-6-9-19(10-7-16)29-20-11-5-15-3-1-2-4-17(15)13-20/h1-14H,(H2,25,28)(H,26,27)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163270
PNG
(2-[4-(2-Fluoro-5-trifluoromethyl-phenoxy)-phenyl]-...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C21H13F4N3O2/c22-15-7-4-13(21(23,24)25)10-18(15)30-14-5-1-11(2-6-14)20-27-16-8-3-12(19(26)29)9-17(16)28-20/h1-10H,(H2,26,29)(H,27,28)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163250
PNG
(2-[4-(3,4-Dimethyl-phenoxy)-phenyl]-1H-benzoimidaz...)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1C
Show InChI InChI=1S/C22H19N3O2/c1-13-3-7-18(11-14(13)2)27-17-8-4-15(5-9-17)22-24-19-10-6-16(21(23)26)12-20(19)25-22/h3-12H,1-2H3,(H2,23,26)(H,24,25)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163269
PNG
(2-[4-(4-Chloro-benzenesulfinyl)-phenyl]-1H-benzoim...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClN3O2S/c21-14-4-8-16(9-5-14)27(26)15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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n/an/a 13n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163273
PNG
(2-[4-(4-Chloro-phenylsulfamoyl)-phenyl]-1H-benzoim...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClN4O3S/c21-14-4-6-15(7-5-14)25-29(27,28)16-8-1-12(2-9-16)20-23-17-10-3-13(19(22)26)11-18(17)24-20/h1-11,25H,(H2,22,26)(H,23,24)
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n/an/a 14n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50225014
PNG
(2-(4-((1-(4-chlorobenzyl)piperidin-3-yl)methoxy)ph...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCCN(Cc3ccc(Cl)cc3)C2)cc1
Show InChI InChI=1S/C27H27ClN4O2/c28-22-8-3-18(4-9-22)15-32-13-1-2-19(16-32)17-34-23-10-5-20(6-11-23)27-30-24-12-7-21(26(29)33)14-25(24)31-27/h3-12,14,19H,1-2,13,15-17H2,(H2,29,33)(H,30,31)
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n/an/a 14n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM34064
PNG
(2-arylbenzimidazole | CHEMBL179583)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM34064
PNG
(2-arylbenzimidazole | CHEMBL179583)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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n/an/a 15n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM34064
PNG
(2-arylbenzimidazole | CHEMBL179583)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H14ClN3O2/c21-14-4-8-16(9-5-14)26-15-6-1-12(2-7-15)20-23-17-10-3-13(19(22)25)11-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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n/an/a 16n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163271
PNG
(2-[4-(3-Chloro-phenoxy)-phenyl]-1H-benzoimidazole-...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H14ClN3O2/c21-14-2-1-3-16(11-14)26-15-7-4-12(5-8-15)20-23-17-9-6-13(19(22)25)10-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163274
PNG
(2-(4-Phenylsulfamoyl-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1
Show InChI InChI=1S/C20H16N4O3S/c21-19(25)14-8-11-17-18(12-14)23-20(22-17)13-6-9-16(10-7-13)28(26,27)24-15-4-2-1-3-5-15/h1-12,24H,(H2,21,25)(H,22,23)
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n/an/a 18n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50225008
PNG
(2-(4-(2-(1-benzoylpiperidin-4-yl)ethoxy)phenyl)-1H...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCN(CC2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H28N4O3/c29-26(33)22-8-11-24-25(18-22)31-27(30-24)20-6-9-23(10-7-20)35-17-14-19-12-15-32(16-13-19)28(34)21-4-2-1-3-5-21/h1-11,18-19H,12-17H2,(H2,29,33)(H,30,31)
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n/an/a 23n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163260
PNG
(2-[4-(4-Methoxy-phenoxy)-phenyl]-1H-benzoimidazole...)
Show SMILES COc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
Show InChI InChI=1S/C21H17N3O3/c1-26-15-7-9-17(10-8-15)27-16-5-2-13(3-6-16)21-23-18-11-4-14(20(22)25)12-19(18)24-21/h2-12H,1H3,(H2,22,25)(H,23,24)
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n/an/a 23n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163277
PNG
(2-(4-p-Tolyloxy-phenyl)-1H-benzoimidazole-5-carbox...)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
Show InChI InChI=1S/C21H17N3O2/c1-13-2-7-16(8-3-13)26-17-9-4-14(5-10-17)21-23-18-11-6-15(20(22)25)12-19(18)24-21/h2-12H,1H3,(H2,22,25)(H,23,24)
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n/an/a 24n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163249
PNG
(2-[4-(3,4-Dimethoxy-phenoxy)-phenyl]-1H-benzoimida...)
Show SMILES COc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1OC
Show InChI InChI=1S/C22H19N3O4/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-24-17-9-5-14(21(23)26)11-18(17)25-22/h3-12H,1-2H3,(H2,23,26)(H,24,25)
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n/an/a 31n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163253
PNG
(2-(4-Benzyloxy-phenyl)-1H-benzoimidazole-5-carboxy...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O2/c22-20(25)16-8-11-18-19(12-16)24-21(23-18)15-6-9-17(10-7-15)26-13-14-4-2-1-3-5-14/h1-12H,13H2,(H2,22,25)(H,23,24)
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n/an/a 32n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50225005
PNG
(2-(4-((1s,4s)-4-(hydroxymethyl)cyclohexyloxy)pheny...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(O[C@@H]2CC[C@H](CO)CC2)cc1 |wU:17.18,20.22,(-8.66,-18.67,;-7.34,-17.9,;-7.34,-16.37,;-5.99,-18.68,;-5.99,-20.21,;-4.65,-20.98,;-3.33,-20.21,;-1.87,-20.69,;-.97,-19.45,;-1.87,-18.2,;-3.33,-18.67,;-4.65,-17.91,;.57,-19.53,;1.3,-20.9,;2.84,-20.96,;3.67,-19.64,;5.2,-19.69,;6,-18.37,;7.55,-18.41,;8.33,-17.09,;7.61,-15.73,;8.42,-14.42,;9.95,-14.47,;6.06,-15.69,;5.26,-17.01,;2.95,-18.3,;1.4,-18.24,)|
Show InChI InChI=1S/C21H23N3O3/c22-20(26)15-5-10-18-19(11-15)24-21(23-18)14-3-8-17(9-4-14)27-16-6-1-13(12-25)2-7-16/h3-5,8-11,13,16,25H,1-2,6-7,12H2,(H2,22,26)(H,23,24)/t13-,16+
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50225011
PNG
(2-(4-((1-benzylpiperidin-3-yl)methoxy)phenyl)-1H-b...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCCN(Cc3ccccc3)C2)cc1
Show InChI InChI=1S/C27H28N4O2/c28-26(32)22-10-13-24-25(15-22)30-27(29-24)21-8-11-23(12-9-21)33-18-20-7-4-14-31(17-20)16-19-5-2-1-3-6-19/h1-3,5-6,8-13,15,20H,4,7,14,16-18H2,(H2,28,32)(H,29,30)
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n/an/a 37n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50224988
PNG
(2-(4-((1-benzoylpiperidin-4-yl)methoxy)phenyl)-1H-...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCN(CC2)C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C27H26N4O3/c28-25(32)21-8-11-23-24(16-21)30-26(29-23)19-6-9-22(10-7-19)34-17-18-12-14-31(15-13-18)27(33)20-4-2-1-3-5-20/h1-11,16,18H,12-15,17H2,(H2,28,32)(H,29,30)
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n/an/a 39n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163287
PNG
(2-[4-(4-Methanesulfonylamino-phenoxy)-phenyl]-1H-b...)
Show SMILES CS(=O)(=O)Nc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
Show InChI InChI=1S/C21H18N4O4S/c1-30(27,28)25-15-5-9-17(10-6-15)29-16-7-2-13(3-8-16)21-23-18-11-4-14(20(22)26)12-19(18)24-21/h2-12,25H,1H3,(H2,22,26)(H,23,24)
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n/an/a 41n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50224983
PNG
(2-(4-(2-(1-benzylpiperidin-2-yl)ethoxy)phenyl)-1H-...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCCCN2Cc2ccccc2)cc1
Show InChI InChI=1S/C28H30N4O2/c29-27(33)22-11-14-25-26(18-22)31-28(30-25)21-9-12-24(13-10-21)34-17-15-23-8-4-5-16-32(23)19-20-6-2-1-3-7-20/h1-3,6-7,9-14,18,23H,4-5,8,15-17,19H2,(H2,29,33)(H,30,31)
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n/an/a 45n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163261
PNG
(2-[4-(4-Carbamoyl-phenoxy)-phenyl]-1H-benzoimidazo...)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
Show InChI InChI=1S/C21H16N4O3/c22-19(26)12-1-6-15(7-2-12)28-16-8-3-13(4-9-16)21-24-17-10-5-14(20(23)27)11-18(17)25-21/h1-11H,(H2,22,26)(H2,23,27)(H,24,25)
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n/an/a 47n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50225021
PNG
(2-(4-(2-hydroxyethoxy)phenyl)-1H-benzo[d]imidazole...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCO)cc1
Show InChI InChI=1S/C16H15N3O3/c17-15(21)11-3-6-13-14(9-11)19-16(18-13)10-1-4-12(5-2-10)22-8-7-20/h1-6,9,20H,7-8H2,(H2,17,21)(H,18,19)
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n/an/a 52n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50225002
PNG
(2-(4-(2-(1-benzoylpiperidin-2-yl)ethoxy)phenyl)-1H...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCCCN2C(=O)c2ccccc2)cc1
Show InChI InChI=1S/C28H28N4O3/c29-26(33)21-11-14-24-25(18-21)31-27(30-24)19-9-12-23(13-10-19)35-17-15-22-8-4-5-16-32(22)28(34)20-6-2-1-3-7-20/h1-3,6-7,9-14,18,22H,4-5,8,15-17H2,(H2,29,33)(H,30,31)
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n/an/a 52n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50224997
PNG
(2-(4-(2-(1-(4-chlorobenzyl)piperidin-2-yl)ethoxy)p...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCCCN2Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H29ClN4O2/c29-22-9-4-19(5-10-22)18-33-15-2-1-3-23(33)14-16-35-24-11-6-20(7-12-24)28-31-25-13-8-21(27(30)34)17-26(25)32-28/h4-13,17,23H,1-3,14-16,18H2,(H2,30,34)(H,31,32)
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n/an/a 53n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50225006
PNG
(2-(4-((1-(4-methoxybenzyl)piperidin-3-yl)methoxy)p...)
Show SMILES COc1ccc(CN2CCCC(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)C2)cc1
Show InChI InChI=1S/C28H30N4O3/c1-34-23-9-4-19(5-10-23)16-32-14-2-3-20(17-32)18-35-24-11-6-21(7-12-24)28-30-25-13-8-22(27(29)33)15-26(25)31-28/h4-13,15,20H,2-3,14,16-18H2,1H3,(H2,29,33)(H,30,31)
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n/an/a 55n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163284
PNG
(2-(4-Phenoxy-phenyl)-1H-benzoimidazole-5-carboxyli...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H15N3O2/c21-19(24)14-8-11-17-18(12-14)23-20(22-17)13-6-9-16(10-7-13)25-15-4-2-1-3-5-15/h1-12H,(H2,21,24)(H,22,23)
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Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50224998
PNG
(2-{4-[1-(4-methyl-benzyl)-piperidin-3-ylmethoxy]-p...)
Show SMILES Cc1ccc(CN2CCCC(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)C2)cc1
Show InChI InChI=1S/C28H30N4O2/c1-19-4-6-20(7-5-19)16-32-14-2-3-21(17-32)18-34-24-11-8-22(9-12-24)28-30-25-13-10-23(27(29)33)15-26(25)31-28/h4-13,15,21H,2-3,14,16-18H2,1H3,(H2,29,33)(H,30,31)
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Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50224993
PNG
(2-(4-((1-(4-chlorobenzyl)piperidin-4-yl)methoxy)ph...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
Show InChI InChI=1S/C27H27ClN4O2/c28-22-6-1-18(2-7-22)16-32-13-11-19(12-14-32)17-34-23-8-3-20(4-9-23)27-30-24-10-5-21(26(29)33)15-25(24)31-27/h1-10,15,19H,11-14,16-17H2,(H2,29,33)(H,30,31)
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n/an/a 60n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50225012
PNG
(2-(4-{2-[1-(4-methyl-benzyl)-piperidin-2-yl]-ethox...)
Show SMILES Cc1ccc(CN2CCCCC2CCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
Show InChI InChI=1S/C29H32N4O2/c1-20-5-7-21(8-6-20)19-33-16-3-2-4-24(33)15-17-35-25-12-9-22(10-13-25)29-31-26-14-11-23(28(30)34)18-27(26)32-29/h5-14,18,24H,2-4,15-17,19H2,1H3,(H2,30,34)(H,31,32)
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n/an/a 61n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163285
PNG
(2-[4-(3-Hydroxy-phenoxy)-phenyl]-1H-benzoimidazole...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2cccc(O)c2)cc1
Show InChI InChI=1S/C20H15N3O3/c21-19(25)13-6-9-17-18(10-13)23-20(22-17)12-4-7-15(8-5-12)26-16-3-1-2-14(24)11-16/h1-11,24H,(H2,21,25)(H,22,23)
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n/an/a 61n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50225018
PNG
(2-(4-((1-(4-methoxybenzyl)piperidin-4-yl)methoxy)p...)
Show SMILES COc1ccc(CN2CCC(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)CC2)cc1
Show InChI InChI=1S/C28H30N4O3/c1-34-23-7-2-19(3-8-23)17-32-14-12-20(13-15-32)18-35-24-9-4-21(5-10-24)28-30-25-11-6-22(27(29)33)16-26(25)31-28/h2-11,16,20H,12-15,17-18H2,1H3,(H2,29,33)(H,30,31)
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n/an/a 67n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50225019
PNG
(2-(4-((1-benzylpiperidin-4-yl)methoxy)phenyl)-1H-b...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C27H28N4O2/c28-26(32)22-8-11-24-25(16-22)30-27(29-24)21-6-9-23(10-7-21)33-18-20-12-14-31(15-13-20)17-19-4-2-1-3-5-19/h1-11,16,20H,12-15,17-18H2,(H2,28,32)(H,29,30)
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n/an/a 70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50224986
PNG
(2-{4-[1-(4-methyl-benzyl)-piperidin-4-ylmethoxy]-p...)
Show SMILES Cc1ccc(CN2CCC(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)CC2)cc1
Show InChI InChI=1S/C28H30N4O2/c1-19-2-4-20(5-3-19)17-32-14-12-21(13-15-32)18-34-24-9-6-22(7-10-24)28-30-25-11-8-23(27(29)33)16-26(25)31-28/h2-11,16,21H,12-15,17-18H2,1H3,(H2,29,33)(H,30,31)
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n/an/a 70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50224981
PNG
(2-(4-(3-hydroxycyclopentyloxy)phenyl)-1H-benzo[d]i...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OC2CCC(O)C2)cc1
Show InChI InChI=1S/C19H19N3O3/c20-18(24)12-3-8-16-17(9-12)22-19(21-16)11-1-5-14(6-2-11)25-15-7-4-13(23)10-15/h1-3,5-6,8-9,13,15,23H,4,7,10H2,(H2,20,24)(H,21,22)
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n/an/a 72n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50224980
PNG
(2-(4-(3-hydroxypropoxy)phenyl)-1H-benzo[d]imidazol...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCCO)cc1
Show InChI InChI=1S/C17H17N3O3/c18-16(22)12-4-7-14-15(10-12)20-17(19-14)11-2-5-13(6-3-11)23-9-1-8-21/h2-7,10,21H,1,8-9H2,(H2,18,22)(H,19,20)
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n/an/a 73n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50224994
PNG
(2-(4-(2-(1-(4-methoxybenzyl)piperidin-2-yl)ethoxy)...)
Show SMILES COc1ccc(CN2CCCCC2CCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
Show InChI InChI=1S/C29H32N4O3/c1-35-24-10-5-20(6-11-24)19-33-16-3-2-4-23(33)15-17-36-25-12-7-21(8-13-25)29-31-26-14-9-22(28(30)34)18-27(26)32-29/h5-14,18,23H,2-4,15-17,19H2,1H3,(H2,30,34)(H,31,32)
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n/an/a 74n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50224990
PNG
(2-(4-((1-acetylpiperidin-4-yl)methoxy)phenyl)-1H-b...)
Show SMILES CC(=O)N1CCC(COc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)CC1
Show InChI InChI=1S/C22H24N4O3/c1-14(27)26-10-8-15(9-11-26)13-29-18-5-2-16(3-6-18)22-24-19-7-4-17(21(23)28)12-20(19)25-22/h2-7,12,15H,8-11,13H2,1H3,(H2,23,28)(H,24,25)
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n/an/a 78n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50224992
PNG
(2-(4-(4-hydroxycyclohexyloxy)phenyl)-1H-benzo[d]im...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OC2CCC(O)CC2)cc1 |(11.67,-7.06,;13.01,-6.28,;13.01,-4.74,;14.34,-7.05,;14.34,-8.6,;15.67,-9.37,;17.01,-8.59,;18.48,-9.06,;19.38,-7.81,;18.47,-6.56,;17,-7.05,;15.67,-6.28,;20.92,-7.8,;21.7,-9.13,;23.23,-9.12,;24,-7.78,;25.54,-7.77,;26.3,-6.43,;27.83,-6.42,;28.59,-5.09,;27.82,-3.76,;28.59,-2.42,;26.28,-3.77,;25.51,-5.11,;23.21,-6.45,;21.68,-6.46,)|
Show InChI InChI=1S/C20H21N3O3/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/h1-3,6-7,10-11,14,16,24H,4-5,8-9H2,(H2,21,25)(H,22,23)
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n/an/a 80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50163275
PNG
(2-[4-(4-Nitro-phenoxy)-phenyl]-1H-benzoimidazole-5...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C20H14N4O4/c21-19(25)13-3-10-17-18(11-13)23-20(22-17)12-1-6-15(7-2-12)28-16-8-4-14(5-9-16)24(26)27/h1-11H,(H2,21,25)(H,22,23)
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n/an/a 81n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Chk2 kinase


J Med Chem 48: 1873-85 (2005)


Article DOI: 10.1021/jm0495935
BindingDB Entry DOI: 10.7270/Q2FQ9W4V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase CHK2


(Homo sapiens (Human))
BDBM50224989
PNG
(2-(4-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethoxy)p...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
Show InChI InChI=1S/C28H29ClN4O2/c29-23-6-1-20(2-7-23)18-33-14-11-19(12-15-33)13-16-35-24-8-3-21(4-9-24)28-31-25-10-5-22(27(30)34)17-26(25)32-28/h1-10,17,19H,11-16,18H2,(H2,30,34)(H,31,32)
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n/an/a 82n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Chk2


Bioorg Med Chem Lett 17: 6467-71 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.098
BindingDB Entry DOI: 10.7270/Q2KP81XB
More data for this
Ligand-Target Pair
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