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Compile Data Set for Download or QSAR

Found 134 hits with Last Name = 'brunmark' and Initial = 'a'   
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377765
PNG
(CHEMBL254966)
Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C2CC2)c1
Show InChI InChI=1S/C31H26ClN7O2/c32-22-11-7-18(8-12-22)15-26(40)35-23-5-1-3-20(16-23)27-28(39-30(38-27)19-9-10-19)25-13-14-34-31(37-25)36-24-6-2-4-21(17-24)29(33)41/h1-8,11-14,16-17,19H,9-10,15H2,(H2,33,41)(H,35,40)(H,38,39)(H,34,36,37)
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n/an/a 0.5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377766
PNG
(CHEMBL403854)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C1CC1
Show InChI InChI=1S/C25H23ClN6O/c1-27-25-28-12-11-20(30-25)23-22(31-24(32-23)16-7-8-16)17-3-2-4-19(14-17)29-21(33)13-15-5-9-18(26)10-6-15/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,29,33)(H,31,32)(H,27,28,30)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377767
PNG
(CHEMBL429498)
Show SMILES Clc1ccc(CC(=O)Nc2cccc(c2)-c2[nH]c(nc2-c2ccnc(NCCN3CCNC3=O)n2)C2CC2)cc1
Show InChI InChI=1S/C29H29ClN8O2/c30-21-8-4-18(5-9-21)16-24(39)34-22-3-1-2-20(17-22)25-26(37-27(36-25)19-6-7-19)23-10-11-31-28(35-23)32-12-14-38-15-13-33-29(38)40/h1-5,8-11,17,19H,6-7,12-16H2,(H,33,40)(H,34,39)(H,36,37)(H,31,32,35)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377763
PNG
(CHEMBL258454)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N6O/c1-28-22-29-10-9-17(31-22)20-19(32-21(33-20)23(25,26)27)14-3-2-4-16(12-14)30-18(34)11-13-5-7-15(24)8-6-13/h2-10,12H,11H2,1H3,(H,30,34)(H,32,33)(H,28,29,31)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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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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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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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 B-raf


(Homo sapiens (Human))
BDBM50377765
PNG
(CHEMBL254966)
Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C2CC2)c1
Show InChI InChI=1S/C31H26ClN7O2/c32-22-11-7-18(8-12-22)15-26(40)35-23-5-1-3-20(16-23)27-28(39-30(38-27)19-9-10-19)25-13-14-34-31(37-25)36-24-6-2-4-21(17-24)29(33)41/h1-8,11-14,16-17,19H,9-10,15H2,(H2,33,41)(H,35,40)(H,38,39)(H,34,36,37)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of B-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377761
PNG
(CHEMBL430413)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1)C1CC1
Show InChI InChI=1S/C25H21ClF3N7O/c1-30-23-31-10-9-19(34-23)21-20(35-22(36-21)13-5-6-13)14-3-2-4-15(11-14)32-24(37)33-16-7-8-18(26)17(12-16)25(27,28)29/h2-4,7-13H,5-6H2,1H3,(H,35,36)(H,30,31,34)(H2,32,33,37)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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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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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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 B-raf


(Homo sapiens (Human))
BDBM50377767
PNG
(CHEMBL429498)
Show SMILES Clc1ccc(CC(=O)Nc2cccc(c2)-c2[nH]c(nc2-c2ccnc(NCCN3CCNC3=O)n2)C2CC2)cc1
Show InChI InChI=1S/C29H29ClN8O2/c30-21-8-4-18(5-9-21)16-24(39)34-22-3-1-2-20(17-22)25-26(37-27(36-25)19-6-7-19)23-10-11-31-28(35-23)32-12-14-38-15-13-33-29(38)40/h1-5,8-11,17,19H,6-7,12-16H2,(H,33,40)(H,34,39)(H,36,37)(H,31,32,35)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of B-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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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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 B-raf


(Homo sapiens (Human))
BDBM50377766
PNG
(CHEMBL403854)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C1CC1
Show InChI InChI=1S/C25H23ClN6O/c1-27-25-28-12-11-20(30-25)23-22(31-24(32-23)16-7-8-16)17-3-2-4-19(14-17)29-21(33)13-15-5-9-18(26)10-6-15/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,29,33)(H,31,32)(H,27,28,30)
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n/an/a 9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of B-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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 B-raf


(Homo sapiens (Human))
BDBM50377771
PNG
(CHEMBL401710)
Show SMILES Clc1ccc(Cl)c(c1)-c1[nH]c(nc1-c1ccnc(NCCN2CCNC2=O)n1)C1CC1
Show InChI InChI=1S/C21H21Cl2N7O/c22-13-3-4-15(23)14(11-13)17-18(29-19(28-17)12-1-2-12)16-5-6-24-20(27-16)25-7-9-30-10-8-26-21(30)31/h3-6,11-12H,1-2,7-10H2,(H,26,31)(H,28,29)(H,24,25,27)
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of B-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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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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))
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))
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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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377758
PNG
(CHEMBL256921)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)-c2[nH]c(nc2-c2ccnc(NCCN3CCNC3=O)n2)C2CC2)ccc1Cl
Show InChI InChI=1S/C29H27ClF3N9O2/c30-21-7-6-19(15-20(21)29(31,32)33)38-27(43)37-18-3-1-2-17(14-18)23-24(41-25(40-23)16-4-5-16)22-8-9-34-26(39-22)35-10-12-42-13-11-36-28(42)44/h1-3,6-9,14-16H,4-5,10-13H2,(H,36,44)(H,40,41)(H,34,35,39)(H2,37,38,43)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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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 B-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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 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))
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 and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of chk2 kinase


Bioorg Med Chem Lett 16: 1924-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.096
BindingDB Entry DOI: 10.7270/Q2XG9QPW
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377762
PNG
(CHEMBL256775)
Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C(F)(F)F)c1
Show InChI InChI=1S/C29H21ClF3N7O2/c30-19-9-7-16(8-10-19)13-23(41)36-20-5-1-3-17(14-20)24-25(40-27(39-24)29(31,32)33)22-11-12-35-28(38-22)37-21-6-2-4-18(15-21)26(34)42/h1-12,14-15H,13H2,(H2,34,42)(H,36,41)(H,39,40)(H,35,37,38)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377764
PNG
(CHEMBL254965)
Show SMILES FC(F)(F)c1nc(c([nH]1)-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)-c1ccnc(NCCN2CCNC2=O)n1
Show InChI InChI=1S/C27H24ClF3N8O2/c28-18-6-4-16(5-7-18)14-21(40)35-19-3-1-2-17(15-19)22-23(38-24(37-22)27(29,30)31)20-8-9-32-25(36-20)33-10-12-39-13-11-34-26(39)41/h1-9,15H,10-14H2,(H,34,41)(H,35,40)(H,37,38)(H,32,33,36)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50377761
PNG
(CHEMBL430413)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1)C1CC1
Show InChI InChI=1S/C25H21ClF3N7O/c1-30-23-31-10-9-19(34-23)21-20(35-22(36-21)13-5-6-13)14-3-2-4-15(11-14)32-24(37)33-16-7-8-18(26)17(12-16)25(27,28)29/h2-4,7-13H,5-6H2,1H3,(H,35,36)(H,30,31,34)(H2,32,33,37)
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n/an/a 21n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of B-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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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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))
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377769
PNG
(CHEMBL402029)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1)C1CC1
Show InChI InChI=1S/C24H22Cl2N6O2S/c1-27-24-28-10-9-20(29-24)22-21(30-23(31-22)15-6-7-15)16-3-2-4-17(12-16)32-35(33,34)13-14-5-8-18(25)19(26)11-14/h2-5,8-12,15,32H,6-7,13H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 26n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50377763
PNG
(CHEMBL258454)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(F)(F)F
Show InChI InChI=1S/C23H18ClF3N6O/c1-28-22-29-10-9-17(31-22)20-19(32-21(33-20)23(25,26)27)14-3-2-4-16(12-14)30-18(34)11-13-5-7-15(24)8-6-13/h2-10,12H,11H2,1H3,(H,30,34)(H,32,33)(H,28,29,31)
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n/an/a 30n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of B-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377760
PNG
(CHEMBL255496)
Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)C2CC2)c1
Show InChI InChI=1S/C31H24ClF3N8O2/c32-23-10-9-21(15-22(23)31(33,34)35)40-30(45)39-20-6-1-3-17(13-20)25-26(43-28(42-25)16-7-8-16)24-11-12-37-29(41-24)38-19-5-2-4-18(14-19)27(36)44/h1-6,9-16H,7-8H2,(H2,36,44)(H,42,43)(H,37,38,41)(H2,39,40,45)
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n/an/a 31n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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 B-raf


(Homo sapiens (Human))
BDBM50377760
PNG
(CHEMBL255496)
Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)C2CC2)c1
Show InChI InChI=1S/C31H24ClF3N8O2/c32-23-10-9-21(15-22(23)31(33,34)35)40-30(45)39-20-6-1-3-17(13-20)25-26(43-28(42-25)16-7-8-16)24-11-12-37-29(41-24)38-19-5-2-4-18(14-19)27(36)44/h1-6,9-16H,7-8H2,(H2,36,44)(H,42,43)(H,37,38,41)(H2,39,40,45)
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n/an/a 35n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of B-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
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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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50377759
PNG
(CHEMBL255497)
Show SMILES Clc1ccc(CS(=O)(=O)Nc2cccc(c2)-c2[nH]c(nc2-c2ccnc(NCCN3CCNC3=O)n2)C2CC2)cc1Cl
Show InChI InChI=1S/C28H28Cl2N8O3S/c29-21-7-4-17(14-22(21)30)16-42(40,41)37-20-3-1-2-19(15-20)24-25(36-26(35-24)18-5-6-18)23-8-9-31-27(34-23)32-10-12-38-13-11-33-28(38)39/h1-4,7-9,14-15,18,37H,5-6,10-13,16H2,(H,33,39)(H,35,36)(H,31,32,34)
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of C-RAF kinase


Bioorg Med Chem Lett 18: 2825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.002
BindingDB Entry DOI: 10.7270/Q2DJ5GH8
More data for this
Ligand-Target Pair
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