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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50015976   
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 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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n/an/a 3.40n/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))
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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n/an/a 4.40n/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))
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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n/an/a 9.80n/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))
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))
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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n/an/a 12n/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))
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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n/an/a 12n/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))
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))
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 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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n/an/a 17n/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))
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))
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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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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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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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))
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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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))
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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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))
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))
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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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))
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))
BDBM50163252
PNG
(2-Biphenyl-4-yl-1H-benzoimidazole-5-carboxylic aci...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c21-19(24)16-10-11-17-18(12-16)23-20(22-17)15-8-6-14(7-9-15)13-4-2-1-3-5-13/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))
BDBM50163258
PNG
(2-(4-Ethoxy-phenyl)-1H-benzoimidazole-5-carboxylic...)
Show SMILES CCOc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O
Show InChI InChI=1S/C16H15N3O2/c1-2-21-12-6-3-10(4-7-12)16-18-13-8-5-11(15(17)20)9-14(13)19-16/h3-9H,2H2,1H3,(H2,17,20)(H,18,19)
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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))
BDBM50163268
PNG
(2-Naphthalen-2-yl-1H-benzoimidazole-5-carboxylic a...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C18H13N3O/c19-17(22)13-7-8-15-16(10-13)21-18(20-15)14-6-5-11-3-1-2-4-12(11)9-14/h1-10H,(H2,19,22)(H,20,21)
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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))
BDBM50163286
PNG
(2-(4''-Chloro-biphenyl-4-yl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H14ClN3O/c21-16-8-5-13(6-9-16)12-1-3-14(4-2-12)20-23-17-10-7-15(19(22)25)11-18(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))
BDBM50163276
PNG
(2-(4-Phenoxy-phenyl)-1H-benzoimidazole-5-sulfonic ...)
Show SMILES NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H15N3O3S/c20-26(23,24)16-10-11-17-18(12-16)22-19(21-17)13-6-8-15(9-7-13)25-14-4-2-1-3-5-14/h1-12H,(H,21,22)(H2,20,23,24)
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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))
BDBM50163288
PNG
(2-(4-Phenylcarbamoyl-phenyl)-1H-benzoimidazole-5-c...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H16N4O2/c22-19(26)15-10-11-17-18(12-15)25-20(24-17)13-6-8-14(9-7-13)21(27)23-16-4-2-1-3-5-16/h1-12H,(H2,22,26)(H,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))
BDBM50163262
PNG
(2-Dibenzofuran-2-yl-1H-benzoimidazole-5-carboxylic...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C20H13N3O2/c21-19(24)11-5-7-15-16(10-11)23-20(22-15)12-6-8-18-14(9-12)13-3-1-2-4-17(13)25-18/h1-10H,(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))
BDBM50163247
PNG
(2-[3-(3,4-Dichloro-phenoxy)-phenyl]-1H-benzoimidaz...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1cccc(Oc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C20H13Cl2N3O2/c21-15-6-5-14(10-16(15)22)27-13-3-1-2-12(8-13)20-24-17-7-4-11(19(23)26)9-18(17)25-20/h1-10H,(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))
BDBM50163289
PNG
(2-(4-Phenoxy-phenyl)-1H-benzoimidazole-5-carboxyli...)
Show SMILES OC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H14N2O3/c23-20(24)14-8-11-17-18(12-14)22-19(21-17)13-6-9-16(10-7-13)25-15-4-2-1-3-5-15/h1-12H,(H,21,22)(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))
BDBM50163245
PNG
(2-[4-(4-Chloro-phenylcarbamoyl)-phenyl]-1H-benzoim...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C21H15ClN4O2/c22-15-6-8-16(9-7-15)24-21(28)13-3-1-12(2-4-13)20-25-17-10-5-14(19(23)27)11-18(17)26-20/h1-11H,(H2,23,27)(H,24,28)(H,25,26)
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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))
BDBM50163272
PNG
(3-[4-(5-Carbamoyl-1H-benzoimidazol-2-yl)-phenoxy]-...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2cccc(c2)C(O)=O)cc1
Show InChI InChI=1S/C21H15N3O4/c22-19(25)13-6-9-17-18(11-13)24-20(23-17)12-4-7-15(8-5-12)28-16-3-1-2-14(10-16)21(26)27/h1-11H,(H2,22,25)(H,23,24)(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))
BDBM50163257
PNG
(2-[4-(3-Diethylcarbamoyl-phenoxy)-phenyl]-1H-benzo...)
Show SMILES CCN(CC)C(=O)c1cccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)c1
Show InChI InChI=1S/C25H24N4O3/c1-3-29(4-2)25(31)18-6-5-7-20(14-18)32-19-11-8-16(9-12-19)24-27-21-13-10-17(23(26)30)15-22(21)28-24/h5-15H,3-4H2,1-2H3,(H2,26,30)(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))
BDBM50163290
PNG
(2-(3-Phenoxy-phenyl)-1H-benzoimidazole-5-carboxyli...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C20H15N3O2/c21-19(24)13-9-10-17-18(12-13)23-20(22-17)14-5-4-8-16(11-14)25-15-6-2-1-3-7-15/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))
BDBM50163263
PNG
(2-p-Tolyl-1H-benzoimidazole-5-carboxylic acid amid...)
Show SMILES Cc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O
Show InChI InChI=1S/C15H13N3O/c1-9-2-4-10(5-3-9)15-17-12-7-6-11(14(16)19)8-13(12)18-15/h2-8H,1H3,(H2,16,19)(H,17,18)
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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))
BDBM50163281
PNG
(2-Phenyl-1H-benzoimidazole-5-carboxylic acid amide...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-13(18)10-6-7-11-12(8-10)17-14(16-11)9-4-2-1-3-5-9/h1-8H,(H2,15,18)(H,16,17)
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n/an/a 1.20E+3n/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))
BDBM50163256
PNG
(2-(4-Phenoxy-phenyl)-1H-benzoimidazole-5-carboxyli...)
Show SMILES CNC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O2/c1-22-21(25)15-9-12-18-19(13-15)24-20(23-18)14-7-10-17(11-8-14)26-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,25)(H,23,24)
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n/an/a 1.40E+3n/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))
BDBM50163279
PNG
(5-Nitro-2-(4-phenoxy-phenyl)-1H-benzoimidazole | C...)
Show SMILES [O-][N+](=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H13N3O3/c23-22(24)14-8-11-17-18(12-14)21-19(20-17)13-6-9-16(10-7-13)25-15-4-2-1-3-5-15/h1-12H,(H,20,21)
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n/an/a 1.50E+3n/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))
BDBM50163265
PNG
(2-(4-Phenoxy-phenyl)-1H-benzoimidazole-5-carbonitr...)
Show SMILES N#Cc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H13N3O/c21-13-14-6-11-18-19(12-14)23-20(22-18)15-7-9-17(10-8-15)24-16-4-2-1-3-5-16/h1-12H,(H,22,23)
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n/an/a 1.90E+3n/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))
BDBM50163248
PNG
(2-(4-Phenoxy-phenyl)-1H-benzoimidazol-5-ylamine | ...)
Show SMILES Nc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C19H15N3O/c20-14-8-11-17-18(12-14)22-19(21-17)13-6-9-16(10-7-13)23-15-4-2-1-3-5-15/h1-12H,20H2,(H,21,22)
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n/an/a 2.40E+3n/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))
BDBM50163283
PNG
(2-(4-Phenoxy-phenyl)-1H-benzoimidazole-4-carboxyli...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C20H15N3O2/c21-19(24)16-7-4-8-17-18(16)23-20(22-17)13-9-11-15(12-10-13)25-14-5-2-1-3-6-14/h1-12H,(H2,21,24)(H,22,23)
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n/an/a 6.00E+3n/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))
BDBM50163280
PNG
(2-[4-(3,4-Dichloro-phenylcarbamoyl)-phenyl]-1H-ben...)
Show SMILES NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H14Cl2N4O2/c22-15-7-6-14(10-16(15)23)25-21(29)12-3-1-11(2-4-12)20-26-17-8-5-13(19(24)28)9-18(17)27-20/h1-10H,(H2,24,28)(H,25,29)(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))
BDBM50163267
PNG
(2-(4-Phenoxy-phenyl)-1H-benzoimidazole-5-carboxyli...)
Show SMILES CN(C)C(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H19N3O2/c1-25(2)22(26)16-10-13-19-20(14-16)24-21(23-19)15-8-11-18(12-9-15)27-17-6-4-3-5-7-17/h3-14H,1-2H3,(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