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PubMed code 17869387

Compile data set for download or QSAR
Found 158 hits of Enzyme Inhibition Constant Data   
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 Chk1


(Homo sapiens (Human))
BDBM50245691
PNG
(9-hydroxy-6-(3-(methylamino)propyl)-4-phenylpyrrol...)
Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c1-25-10-5-11-27-18-9-8-15(28)12-17(18)20-19(27)13-16(14-6-3-2-4-7-14)21-22(20)24(30)26-23(21)29/h2-4,6-9,12-13,25,28H,5,10-11H2,1H3,(H,26,29,30)
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n/an/a 2n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245342
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-hydroxy-3-(methy...)
Show SMILES CNCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H20ClN3O4/c1-26-10-13(30)11-28-18-7-6-12(29)8-16(18)20-19(28)9-15(14-4-2-3-5-17(14)25)21-22(20)24(32)27-23(21)31/h2-9,13,26,29-30H,10-11H2,1H3,(H,27,31,32)
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n/an/a 3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245693
PNG
(4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-(methylamino...)
Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(17.83,-19.63,;19.34,-19.93,;20.36,-18.78,;19.88,-17.32,;20.9,-16.17,;20.41,-14.71,;18.93,-14.24,;17.59,-15.01,;16.26,-14.24,;16.26,-12.69,;14.93,-11.92,;17.59,-11.92,;18.92,-12.69,;20.4,-12.2,;21.01,-10.79,;20.38,-9.39,;18.87,-9.08,;21.51,-8.35,;22.85,-9.11,;24.25,-8.48,;22.54,-10.62,;23.47,-11.86,;22.85,-13.28,;21.31,-13.45,;24.99,-11.68,;25.91,-12.93,;25.3,-14.34,;27.44,-12.75,;28.05,-11.34,;27.13,-10.1,;25.6,-10.28,;25.59,-8.73,)|
Show InChI InChI=1S/C24H19Cl2N3O3/c1-27-8-3-9-29-17-7-6-12(30)10-13(17)20-18(29)11-14(19-15(25)4-2-5-16(19)26)21-22(20)24(32)28-23(21)31/h2,4-7,10-11,27,30H,3,8-9H2,1H3,(H,28,31,32)
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n/an/a 5n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245523
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)
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n/an/a 6n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245387
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES Oc1ccc2n(CCC(=O)NS(=O)(=O)c3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C29H20ClN3O6S/c30-21-9-5-4-8-18(21)19-15-23-25(27-26(19)28(36)31-29(27)37)20-14-16(34)10-11-22(20)33(23)13-12-24(35)32-40(38,39)17-6-2-1-3-7-17/h1-11,14-15,34H,12-13H2,(H,32,35)(H,31,36,37)
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n/an/a 7n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245496
PNG
(4-(2,6-Dichlorophenyl)-9-hydroxy-6-(3-hydroxypropy...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(23.53,-35.27,;24.56,-34.12,;24.08,-32.66,;25.11,-31.51,;24.63,-30.05,;23.16,-29.57,;21.82,-30.34,;20.49,-29.57,;20.49,-28.02,;19.16,-27.25,;21.82,-27.25,;23.16,-28.02,;24.63,-27.54,;25.26,-26.13,;24.64,-24.72,;23.13,-24.4,;25.78,-23.7,;27.11,-24.47,;28.52,-23.85,;26.79,-25.97,;27.71,-27.22,;27.08,-28.64,;25.54,-28.79,;29.23,-27.06,;30.14,-28.31,;29.51,-29.72,;31.67,-28.15,;32.3,-26.75,;31.38,-25.5,;29.86,-25.66,;29.84,-24.12,)|
Show InChI InChI=1S/C23H16Cl2N2O4/c24-14-3-1-4-15(25)18(14)13-10-17-19(21-20(13)22(30)26-23(21)31)12-9-11(29)5-6-16(12)27(17)7-2-8-28/h1,3-6,9-10,28-29H,2,7-8H2,(H,26,30,31)
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n/an/a 7n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245457
PNG
(4-(2,6-Dichlorophenyl)-9-hydroxy-6-(2-hydroxyethyl...)
Show SMILES OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(20.53,-24.9,;20.05,-23.43,;21.08,-22.29,;20.6,-20.82,;19.13,-20.34,;17.8,-21.11,;16.46,-20.34,;16.46,-18.8,;15.13,-18.03,;17.79,-18.03,;19.13,-18.79,;20.6,-18.31,;21.23,-16.9,;20.61,-15.5,;19.1,-15.18,;21.75,-14.47,;23.08,-15.24,;24.49,-14.62,;22.76,-16.75,;23.68,-18,;23.05,-19.41,;21.51,-19.57,;25.2,-17.84,;26.11,-19.09,;25.48,-20.49,;27.64,-18.93,;28.27,-17.52,;27.35,-16.27,;25.83,-16.44,;25.81,-14.89,)|
Show InChI InChI=1S/C22H14Cl2N2O4/c23-13-2-1-3-14(24)17(13)12-9-16-18(20-19(12)21(29)25-22(20)30)11-8-10(28)4-5-15(11)26(16)6-7-27/h1-5,8-9,27-28H,6-7H2,(H,25,29,30)
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n/an/a 8n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232241
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-(3-hydroxypropyl)-p...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O4/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)25-23(21)30)15-10-12(28)6-7-17(15)26(18)8-3-9-27/h1-2,4-7,10-11,27-28H,3,8-9H2,(H,25,29,30)
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n/an/a 9n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245425
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-(1H-1,2,4-triazo...)
Show SMILES Oc1ccc2n(CCS(=O)c3nnc[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN5O4S/c25-16-4-2-1-3-13(16)14-10-18-19(21-20(14)22(32)28-23(21)33)15-9-12(31)5-6-17(15)30(18)7-8-35(34)24-26-11-27-29-24/h1-6,9-11,31H,7-8H2,(H,26,27,29)(H,28,32,33)
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n/an/a 9n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245384
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H15ClN2O5/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)25-23(21)31)14-9-11(27)5-6-16(14)26(17)8-7-18(28)29/h1-6,9-10,27H,7-8H2,(H,28,29)(H,25,30,31)
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n/an/a 9n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192371
PNG
(4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C20H11ClN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
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n/an/a 11n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245386
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES CS(=O)(=O)NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H18ClN3O6S/c1-35(33,34)27-19(30)8-9-28-17-7-6-12(29)10-15(17)20-18(28)11-14(13-4-2-3-5-16(13)25)21-22(20)24(32)26-23(21)31/h2-7,10-11,29H,8-9H2,1H3,(H,27,30)(H,26,31,32)
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n/an/a 12n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245692
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(3-(methylamino)pro...)
Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H20ClN3O3/c1-26-9-4-10-28-18-8-7-13(29)11-16(18)20-19(28)12-15(14-5-2-3-6-17(14)25)21-22(20)24(31)27-23(21)30/h2-3,5-8,11-12,26,29H,4,9-10H2,1H3,(H,27,30,31)
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n/an/a 12n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245458
PNG
(4-(4-(2-Chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES OC(=O)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H17ClN2O5/c25-16-5-2-1-4-13(16)14-11-18-20(22-21(14)23(31)26-24(22)32)15-10-12(28)7-8-17(15)27(18)9-3-6-19(29)30/h1-2,4-5,7-8,10-11,28H,3,6,9H2,(H,29,30)(H,26,31,32)
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n/an/a 13n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245341
PNG
(3-(4-(2,6-dichlorophenyl)-9-hydroxy-1,3-dioxo-2,3-...)
Show SMILES CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(18.95,-7.42,;19.98,-6.27,;19.49,-4.8,;21.48,-6.57,;22.51,-5.42,;24.02,-5.73,;25.04,-4.58,;26.55,-4.89,;24.55,-3.12,;25.57,-1.97,;25.09,-.51,;23.61,-.04,;22.27,-.81,;20.93,-.04,;20.94,1.51,;19.6,2.28,;22.26,2.28,;23.6,1.52,;25.07,2,;25.69,3.41,;25.05,4.81,;23.55,5.13,;26.19,5.85,;27.52,5.09,;28.93,5.72,;27.21,3.58,;28.14,2.34,;27.52,.93,;25.99,.76,;29.67,2.52,;30.58,1.28,;29.97,-.13,;32.11,1.45,;32.73,2.87,;31.8,4.11,;30.28,3.93,;30.26,5.47,)|
Show InChI InChI=1S/C27H24Cl2N4O4/c1-32(2)11-9-30-21(35)8-10-33-19-7-6-14(34)12-15(19)23-20(33)13-16(22-17(28)4-3-5-18(22)29)24-25(23)27(37)31-26(24)36/h3-7,12-13,34H,8-11H2,1-2H3,(H,30,35)(H,31,36,37)
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n/an/a 14n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245525
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C23H14ClN3O3/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)26-23(21)30)15-10-12(28)6-7-17(15)27(18)9-3-8-25/h1-2,4-7,10-11,28H,3,9H2,(H,26,29,30)
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n/an/a 15n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245459
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[3-(1H-tetrazol-5-y...)
Show SMILES Oc1ccc2n(CCCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H17ClN6O3/c25-16-5-2-1-4-13(16)14-11-18-20(22-21(14)23(33)26-24(22)34)15-10-12(32)7-8-17(15)31(18)9-3-6-19-27-29-30-28-19/h1-2,4-5,7-8,10-11,32H,3,6,9H2,(H,26,33,34)(H,27,28,29,30)
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n/an/a 16n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245497
PNG
(9-Hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)-...)
Show SMILES COc1ccccc1-c1cc2n(CCCO)c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C24H20N2O5/c1-31-19-6-3-2-5-14(19)15-12-18-20(22-21(15)23(29)25-24(22)30)16-11-13(28)7-8-17(16)26(18)9-4-10-27/h2-3,5-8,11-12,27-28H,4,9-10H2,1H3,(H,25,29,30)
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n/an/a 18n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245426
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-(1H-1,2,4-triazo...)
Show SMILES Oc1ccc2n(CCS(=O)(=O)c3nnc[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN5O5S/c25-16-4-2-1-3-13(16)14-10-18-19(21-20(14)22(32)28-23(21)33)15-9-12(31)5-6-17(15)30(18)7-8-36(34,35)24-26-11-27-29-24/h1-6,9-11,31H,7-8H2,(H,26,27,29)(H,28,32,33)
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n/an/a 19n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245423
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-(1H-tetrazol-5-y...)
Show SMILES Oc1ccc2n(CCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C23H15ClN6O3/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(32)25-23(21)33)14-9-11(31)5-6-16(14)30(17)8-7-18-26-28-29-27-18/h1-6,9-10,31H,7-8H2,(H,25,32,33)(H,26,27,28,29)
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n/an/a 21n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245522
PNG
(3-(9-Hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C23H17N3O4/c24-18(28)8-9-26-16-7-6-13(27)10-15(16)19-17(26)11-14(12-4-2-1-3-5-12)20-21(19)23(30)25-22(20)29/h1-7,10-11,27H,8-9H2,(H2,24,28)(H,25,29,30)
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n/an/a 21n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245731
PNG
(6-[3-(Dimethylamino)propyl]-9-hydroxy-4-phenylpyrr...)
Show SMILES CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C25H23N3O3/c1-27(2)11-6-12-28-19-10-9-16(29)13-18(19)21-20(28)14-17(15-7-4-3-5-8-15)22-23(21)25(31)26-24(22)30/h3-5,7-10,13-14,29H,6,11-12H2,1-2H3,(H,26,30,31)
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n/an/a 21n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245344
PNG
(3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo...)
Show SMILES OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C23H16N2O5/c26-13-6-7-16-15(10-13)19-17(25(16)9-8-18(27)28)11-14(12-4-2-1-3-5-12)20-21(19)23(30)24-22(20)29/h1-7,10-11,26H,8-9H2,(H,27,28)(H,24,29,30)
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n/an/a 23n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245549
PNG
(4-(2-Chlorophenyl)-6-(2,3-dihydroxypropyl)-9-hydro...)
Show SMILES OCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O5/c24-16-4-2-1-3-13(16)14-8-18-19(21-20(14)22(30)25-23(21)31)15-7-11(28)5-6-17(15)26(18)9-12(29)10-27/h1-8,12,27-29H,9-10H2,(H,25,30,31)
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n/an/a 23n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245424
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-(4H-1,2,4-triazo...)
Show SMILES Oc1ccc2n(CCSc3nnc[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN5O3S/c25-16-4-2-1-3-13(16)14-10-18-19(21-20(14)22(32)28-23(21)33)15-9-12(31)5-6-17(15)30(18)7-8-34-24-26-11-27-29-24/h1-6,9-11,31H,7-8H2,(H,26,27,29)(H,28,32,33)
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n/an/a 24n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245455
PNG
(9-Hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c...)
Show SMILES OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C22H16N2O4/c25-9-8-24-16-7-6-13(26)10-15(16)18-17(24)11-14(12-4-2-1-3-5-12)19-20(18)22(28)23-21(19)27/h1-7,10-11,25-26H,8-9H2,(H,23,27,28)
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n/an/a 25n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245548
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-(3-methoxypropyl)-p...)
Show SMILES COCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H19ClN2O4/c1-31-10-4-9-27-18-8-7-13(28)11-16(18)20-19(27)12-15(14-5-2-3-6-17(14)25)21-22(20)24(30)26-23(21)29/h2-3,5-8,11-12,28H,4,9-10H2,1H3,(H,26,29,30)
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n/an/a 27n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245303
PNG
(CHEMBL518048 | N-[2-(Dimethylamino)ethyl]-3-(9-hyd...)
Show SMILES CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C27H26N4O4/c1-30(2)13-11-28-22(33)10-12-31-20-9-8-17(32)14-19(20)23-21(31)15-18(16-6-4-3-5-7-16)24-25(23)27(35)29-26(24)34/h3-9,14-15,32H,10-13H2,1-2H3,(H,28,33)(H,29,34,35)
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n/an/a 27n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192399
PNG
(4-(2,6-dichlorophenyl)-9-hydroxypyrrolo[3,4-c]carb...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(-8.44,-32.87,;-7.11,-33.63,;-7.11,-35.18,;-5.78,-35.95,;-4.44,-35.18,;-2.97,-35.66,;-2.06,-34.4,;-.53,-34.25,;.11,-32.83,;-.82,-31.58,;-.49,-30.08,;.91,-29.46,;-1.82,-29.31,;-2.97,-30.34,;-4.47,-30.01,;-2.34,-31.74,;-2.97,-33.15,;-4.44,-33.63,;-5.78,-32.86,;1.63,-32.67,;2.53,-33.91,;1.91,-35.32,;4.06,-33.75,;4.69,-32.34,;3.77,-31.09,;2.25,-31.27,;1.33,-30.02,)|
Show InChI InChI=1S/C20H10Cl2N2O3/c21-11-2-1-3-12(22)15(11)10-7-14-16(18-17(10)19(26)24-20(18)27)9-6-8(25)4-5-13(9)23-14/h1-7,23,25H,(H,24,26,27)
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n/an/a 28n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245732
PNG
(4-(2-chlorophenyl)-6-(3-(dimethylamino)propyl)-9-h...)
Show SMILES CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C25H22ClN3O3/c1-28(2)10-5-11-29-19-9-8-14(30)12-17(19)21-20(29)13-16(15-6-3-4-7-18(15)26)22-23(21)25(32)27-24(22)31/h3-4,6-9,12-13,30H,5,10-11H2,1-2H3,(H,27,31,32)
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n/an/a 29n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245497
PNG
(9-Hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)-...)
Show SMILES COc1ccccc1-c1cc2n(CCCO)c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C24H20N2O5/c1-31-19-6-3-2-5-14(19)15-12-18-20(22-21(15)23(29)25-24(22)30)16-11-13(28)7-8-17(16)26(18)9-4-10-27/h2-3,5-8,11-12,27-28H,4,9-10H2,1H3,(H,25,29,30)
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n/an/a 30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245546
PNG
(CHEMBL487891 | Methyl 3-(4-(2-chlorophenyl)-9-hydr...)
Show SMILES COC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H17ClN2O5/c1-32-19(29)8-9-27-17-7-6-12(28)10-15(17)20-18(27)11-14(13-4-2-3-5-16(13)25)21-22(20)24(31)26-23(21)30/h2-7,10-11,28H,8-9H2,1H3,(H,26,30,31)
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n/an/a 30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245343
PNG
(4-(2-Chlorophenyl)-6-[3-(dimethylamino)-2-hydro-xy...)
Show SMILES CN(C)CC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C25H22ClN3O4/c1-28(2)11-14(31)12-29-19-8-7-13(30)9-17(19)21-20(29)10-16(15-5-3-4-6-18(15)26)22-23(21)25(33)27-24(22)32/h3-10,14,30-31H,11-12H2,1-2H3,(H,27,32,33)
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n/an/a 30n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245547
PNG
(4-(4-(2-Chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES Oc1ccc2n(CCCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN3O3/c25-17-6-2-1-5-14(17)15-12-19-20(22-21(15)23(30)27-24(22)31)16-11-13(29)7-8-18(16)28(19)10-4-3-9-26/h1-2,5-8,11-12,29H,3-4,10H2,(H,27,30,31)
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n/an/a 33n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245304
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C27H25ClN4O4/c1-31(2)12-10-29-22(34)9-11-32-20-8-7-15(33)13-18(20)23-21(32)14-17(16-5-3-4-6-19(16)28)24-25(23)27(36)30-26(24)35/h3-8,13-14,33H,9-12H2,1-2H3,(H,29,34)(H,30,35,36)
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n/an/a 35n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245522
PNG
(3-(9-Hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C23H17N3O4/c24-18(28)8-9-26-16-7-6-13(27)10-15(16)19-17(26)11-14(12-4-2-1-3-5-12)20-21(19)23(30)25-22(20)29/h1-7,10-11,27H,8-9H2,(H2,24,28)(H,25,29,30)
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n/an/a 35n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245146
PNG
(6-(3-(1H-imidazol-1-yl)propyl)-9-hydroxy-4-phenylp...)
Show SMILES Oc1ccc2n(CCCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C26H20N4O3/c31-17-7-8-20-19(13-17)22-21(30(20)11-4-10-29-12-9-27-15-29)14-18(16-5-2-1-3-6-16)23-24(22)26(33)28-25(23)32/h1-3,5-9,12-15,31H,4,10-11H2,(H,28,32,33)
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n/an/a 36n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245456
PNG
(4-(2-Chlorophenyl)-6-(2-hydroxyethyl)-9-hydroxypyr...)
Show SMILES OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H15ClN2O4/c23-15-4-2-1-3-12(15)13-10-17-18(20-19(13)21(28)24-22(20)29)14-9-11(27)5-6-16(14)25(17)7-8-26/h1-6,9-10,26-27H,7-8H2,(H,24,28,29)
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n/an/a 45n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50192349
PNG
(9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)
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n/an/a 47n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245304
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C27H25ClN4O4/c1-31(2)12-10-29-22(34)9-11-32-20-8-7-15(33)13-18(20)23-21(32)14-17(16-5-3-4-6-19(16)28)24-25(23)27(36)30-26(24)35/h3-8,13-14,33H,9-12H2,1-2H3,(H,29,34)(H,30,35,36)
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n/an/a 53n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245523
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)
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n/an/a 54n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245147
PNG
(6-(3-(1H-imidazol-1-yl)propyl)-4-(2-chlorophenyl)-...)
Show SMILES Oc1ccc2n(CCCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C26H19ClN4O3/c27-19-5-2-1-4-16(19)17-13-21-22(24-23(17)25(33)29-26(24)34)18-12-15(32)6-7-20(18)31(21)10-3-9-30-11-8-28-14-30/h1-2,4-8,11-14,32H,3,9-10H2,(H,29,33,34)
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n/an/a 54n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245573
PNG
(6-(2-(dimethylamino)ethyl)-9-hydroxy-4-phenylpyrro...)
Show SMILES CN(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c1-26(2)10-11-27-18-9-8-15(28)12-17(18)20-19(27)13-16(14-6-4-3-5-7-14)21-22(20)24(30)25-23(21)29/h3-9,12-13,28H,10-11H2,1-2H3,(H,25,29,30)
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n/an/a 54n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245147
PNG
(6-(3-(1H-imidazol-1-yl)propyl)-4-(2-chlorophenyl)-...)
Show SMILES Oc1ccc2n(CCCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C26H19ClN4O3/c27-19-5-2-1-4-16(19)17-13-21-22(24-23(17)25(33)29-26(24)34)18-12-15(32)6-7-20(18)31(21)10-3-9-30-11-8-28-14-30/h1-2,4-8,11-14,32H,3,9-10H2,(H,29,33,34)
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n/an/a 55n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50192433
PNG
(9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C21H14N2O3/c1-23-15-8-7-12(24)9-14(15)17-16(23)10-13(11-5-3-2-4-6-11)18-19(17)21(26)22-20(18)25/h2-10,24H,1H3,(H,22,25,26)
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n/an/a 56n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192411
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methylpyrrolo[3,4-c...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H13ClN2O3/c1-24-15-7-6-10(25)8-13(15)17-16(24)9-12(11-4-2-3-5-14(11)22)18-19(17)21(27)23-20(18)26/h2-9,25H,1H3,(H,23,26,27)
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n/an/a 57n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245342
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-hydroxy-3-(methy...)
Show SMILES CNCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H20ClN3O4/c1-26-10-13(30)11-28-18-7-6-12(29)8-16(18)20-19(28)9-15(14-4-2-3-5-17(14)25)21-22(20)24(32)27-23(21)31/h2-9,13,26,29-30H,10-11H2,1H3,(H,27,31,32)
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n/an/a 57n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245343
PNG
(4-(2-Chlorophenyl)-6-[3-(dimethylamino)-2-hydro-xy...)
Show SMILES CN(C)CC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C25H22ClN3O4/c1-28(2)11-14(31)12-29-19-8-7-13(30)9-17(19)21-20(29)10-16(15-5-3-4-6-18(15)26)22-23(21)25(33)27-24(22)32/h3-10,14,30-31H,11-12H2,1-2H3,(H,27,32,33)
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n/an/a 58n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192400
PNG
(6-butyl-4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]...)
Show SMILES CCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H19ClN2O3/c1-2-3-10-27-18-9-8-13(28)11-16(18)20-19(27)12-15(14-6-4-5-7-17(14)25)21-22(20)24(30)26-23(21)29/h4-9,11-12,28H,2-3,10H2,1H3,(H,26,29,30)
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n/an/a 59n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245178
PNG
(6-(3-(1H-imidazol-1-yl)propyl)-4-(2,6-dichlorophen...)
Show SMILES Oc1ccc2n(CCCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(17.41,2.71,;18.74,1.94,;18.74,.39,;20.07,-.38,;21.42,.39,;22.89,-.08,;23.38,-1.54,;22.36,-2.69,;22.84,-4.15,;21.82,-5.3,;22.15,-6.81,;20.82,-7.59,;19.67,-6.57,;20.29,-5.15,;23.79,1.18,;25.33,1.35,;25.95,2.77,;25.02,4.01,;25.33,5.52,;26.73,6.15,;24,6.28,;22.86,5.24,;21.35,5.55,;23.49,3.84,;22.88,2.43,;21.41,1.94,;20.07,2.71,;27.48,2.95,;28.39,1.7,;27.78,.29,;29.92,1.88,;30.53,3.29,;29.61,4.53,;28.08,4.35,;28.07,5.9,)|
Show InChI InChI=1S/C26H18Cl2N4O3/c27-17-3-1-4-18(28)21(17)16-12-20-22(24-23(16)25(34)30-26(24)35)15-11-14(33)5-6-19(15)32(20)9-2-8-31-10-7-29-13-31/h1,3-7,10-13,33H,2,8-9H2,(H,30,34,35)
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n/an/a 59n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245495
PNG
(9-Hydroxy-6-(3-hydroxypropyl)-4-phenylpyrrolo-[3,4...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C23H18N2O4/c26-10-4-9-25-17-8-7-14(27)11-16(17)19-18(25)12-15(13-5-2-1-3-6-13)20-21(19)23(29)24-22(20)28/h1-3,5-8,11-12,26-27H,4,9-10H2,(H,24,28,29)
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n/an/a 59n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245258
PNG
(4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-(4-methylpip...)
Show SMILES CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2c(Cl)cccc2Cl)CC1 |(20.56,-23.44,;21.58,-22.29,;21.1,-20.83,;22.12,-19.69,;23.63,-20,;24.66,-18.84,;24.17,-17.38,;25.19,-16.23,;24.71,-14.77,;23.23,-14.3,;21.89,-15.07,;20.55,-14.3,;20.55,-12.76,;19.22,-11.99,;21.88,-11.98,;23.22,-12.75,;24.69,-12.26,;25.31,-10.85,;24.67,-9.45,;23.16,-9.14,;25.81,-8.41,;27.14,-9.17,;28.55,-8.54,;26.83,-10.68,;27.76,-11.92,;27.14,-13.34,;25.61,-13.51,;29.29,-11.75,;30.2,-12.99,;29.59,-14.4,;31.73,-12.81,;32.35,-11.4,;31.42,-10.16,;29.9,-10.34,;29.88,-8.8,;24.12,-21.46,;23.09,-22.61,)|
Show InChI InChI=1S/C28H26Cl2N4O3/c1-32-10-12-33(13-11-32)8-3-9-34-21-7-6-16(35)14-17(21)24-22(34)15-18(23-19(29)4-2-5-20(23)30)25-26(24)28(37)31-27(25)36/h2,4-7,14-15,35H,3,8-13H2,1H3,(H,31,36,37)
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n/an/a 62n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245145
PNG
(4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-morpholinopr...)
Show SMILES Oc1ccc2n(CCCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(17.89,-39.21,;19.22,-39.98,;19.22,-41.52,;20.56,-42.29,;21.9,-41.52,;23.38,-41.99,;23.86,-43.45,;22.84,-44.61,;23.33,-46.07,;22.3,-47.22,;20.79,-46.91,;19.77,-48.05,;20.25,-49.52,;21.76,-49.83,;22.79,-48.68,;24.28,-40.73,;25.81,-40.56,;26.43,-39.14,;25.5,-37.9,;25.81,-36.4,;27.22,-35.76,;24.48,-35.64,;23.34,-36.67,;21.83,-36.36,;23.98,-38.07,;23.36,-39.48,;21.89,-39.97,;20.55,-39.21,;27.96,-38.97,;28.87,-40.21,;28.26,-41.62,;30.4,-40.04,;31.02,-38.62,;30.09,-37.38,;28.57,-37.56,;28.55,-36.02,)|
Show InChI InChI=1S/C27H23Cl2N3O4/c28-18-3-1-4-19(29)22(18)17-14-21-23(25-24(17)26(34)30-27(25)35)16-13-15(33)5-6-20(16)32(21)8-2-7-31-9-11-36-12-10-31/h1,3-6,13-14,33H,2,7-12H2,(H,30,34,35)
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n/an/a 64n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245620
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(2-morpholinoethyl)...)
Show SMILES Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C26H22ClN3O4/c27-19-4-2-1-3-16(19)17-14-21-22(24-23(17)25(32)28-26(24)33)18-13-15(31)5-6-20(18)30(21)8-7-29-9-11-34-12-10-29/h1-6,13-14,31H,7-12H2,(H,28,32,33)
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n/an/a 64n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245302
PNG
(4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-(phenylamino...)
Show SMILES Oc1ccc2n(CCCNc3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(17.36,-29.28,;18.7,-30.05,;18.69,-31.6,;20.03,-32.37,;21.37,-31.6,;22.85,-32.07,;23.33,-33.53,;22.31,-34.68,;22.8,-36.14,;21.78,-37.29,;22.26,-38.76,;21.24,-39.9,;21.72,-41.36,;23.23,-41.67,;24.26,-40.51,;23.77,-39.05,;23.75,-30.81,;25.28,-30.64,;25.9,-29.22,;24.97,-27.98,;25.28,-26.47,;26.69,-25.84,;23.95,-25.71,;22.81,-26.75,;21.31,-26.44,;23.45,-28.15,;22.83,-29.56,;21.36,-30.05,;20.02,-29.28,;27.43,-29.04,;28.34,-30.29,;27.73,-31.7,;29.87,-30.11,;30.49,-28.7,;29.56,-27.46,;28.04,-27.64,;28.02,-26.09,)|
Show InChI InChI=1S/C29H21Cl2N3O3/c30-20-8-4-9-21(31)24(20)19-15-23-25(27-26(19)28(36)33-29(27)37)18-14-17(35)10-11-22(18)34(23)13-5-12-32-16-6-2-1-3-7-16/h1-4,6-11,14-15,32,35H,5,12-13H2,(H,33,36,37)
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n/an/a 67n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245692
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(3-(methylamino)pro...)
Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H20ClN3O3/c1-26-9-4-10-28-18-8-7-13(29)11-16(18)20-19(28)12-15(14-5-2-3-6-17(14)25)21-22(20)24(31)27-23(21)30/h2-3,5-8,11-12,26,29H,4,9-10H2,1H3,(H,27,30,31)
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n/an/a 69n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245144
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(3-morpholinopropyl...)
Show SMILES Oc1ccc2n(CCCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C27H24ClN3O4/c28-20-5-2-1-4-17(20)18-15-22-23(25-24(18)26(33)29-27(25)34)19-14-16(32)6-7-21(19)31(22)9-3-8-30-10-12-35-13-11-30/h1-2,4-7,14-15,32H,3,8-13H2,(H,29,33,34)
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n/an/a 71n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245301
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(3-(phenylamino)pro...)
Show SMILES Oc1ccc2n(CCCNc3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C29H22ClN3O3/c30-22-10-5-4-9-19(22)20-16-24-25(27-26(20)28(35)32-29(27)36)21-15-18(34)11-12-23(21)33(24)14-6-13-31-17-7-2-1-3-8-17/h1-5,7-12,15-16,31,34H,6,13-14H2,(H,32,35,36)
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n/an/a 74n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245426
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-(1H-1,2,4-triazo...)
Show SMILES Oc1ccc2n(CCS(=O)(=O)c3nnc[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN5O5S/c25-16-4-2-1-3-13(16)14-10-18-19(21-20(14)22(32)28-23(21)33)15-9-12(31)5-6-17(15)30(18)7-8-36(34,35)24-26-11-27-29-24/h1-6,9-11,31H,7-8H2,(H,26,27,29)(H,28,32,33)
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n/an/a 77n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245549
PNG
(4-(2-Chlorophenyl)-6-(2,3-dihydroxypropyl)-9-hydro...)
Show SMILES OCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O5/c24-16-4-2-1-3-13(16)14-8-18-19(21-20(14)22(30)25-23(21)31)15-7-11(28)5-6-17(15)26(18)9-12(29)10-27/h1-8,12,27-29H,9-10H2,(H,25,30,31)
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n/an/a 77n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245257
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(3-(4-methylpiperaz...)
Show SMILES CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C28H27ClN4O3/c1-31-11-13-32(14-12-31)9-4-10-33-22-8-7-17(34)15-20(22)24-23(33)16-19(18-5-2-3-6-21(18)29)25-26(24)28(36)30-27(25)35/h2-3,5-8,15-16,34H,4,9-14H2,1H3,(H,30,35,36)
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n/an/a 82n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245455
PNG
(9-Hydroxy-6-(2-hydroxyethyl)-4-phenylpyrrolo[3,4-c...)
Show SMILES OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C22H16N2O4/c25-9-8-24-16-7-6-13(26)10-15(16)18-17(24)11-14(12-4-2-1-3-5-12)19-20(18)22(28)23-21(19)27/h1-7,10-11,25-26H,8-9H2,(H,23,27,28)
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n/an/a 88n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245623
PNG
(6-(2-(1H-imidazol-1-yl)ethyl)-4-(2-chlorophenyl)-9...)
Show SMILES Oc1ccc2n(CCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C25H17ClN4O3/c26-18-4-2-1-3-15(18)16-12-20-21(23-22(16)24(32)28-25(23)33)17-11-14(31)5-6-19(17)30(20)10-9-29-8-7-27-13-29/h1-8,11-13,31H,9-10H2,(H,28,32,33)
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n/an/a 92n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245259
PNG
(9-hydroxy-4-phenyl-6-(3-(phenylamino)propyl)pyrrol...)
Show SMILES Oc1ccc2n(CCCNc3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C29H23N3O3/c33-20-12-13-23-22(16-20)25-24(32(23)15-7-14-30-19-10-5-2-6-11-19)17-21(18-8-3-1-4-9-18)26-27(25)29(35)31-28(26)34/h1-6,8-13,16-17,30,33H,7,14-15H2,(H,31,34,35)
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n/an/a 93n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245733
PNG
(4-(2,6-dichlorophenyl)-6-(3-(dimethylamino)propyl)...)
Show SMILES CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(21.79,-32.39,;23.3,-32.7,;23.79,-34.16,;24.32,-31.55,;23.84,-30.08,;24.86,-28.93,;24.37,-27.47,;22.89,-27,;21.55,-27.77,;20.22,-27,;20.22,-25.46,;18.89,-24.69,;21.55,-24.69,;22.88,-25.45,;24.36,-24.96,;24.97,-23.55,;24.34,-22.15,;22.83,-21.84,;25.47,-21.12,;26.81,-21.88,;28.21,-21.24,;26.5,-23.38,;27.43,-24.62,;26.81,-26.04,;25.27,-26.21,;28.95,-24.45,;29.87,-25.69,;29.25,-27.1,;31.4,-25.51,;32.01,-24.1,;31.09,-22.86,;29.56,-23.04,;29.55,-21.5,)|
Show InChI InChI=1S/C25H21Cl2N3O3/c1-29(2)9-4-10-30-18-8-7-13(31)11-14(18)21-19(30)12-15(20-16(26)5-3-6-17(20)27)22-23(21)25(33)28-24(22)32/h3,5-8,11-12,31H,4,9-10H2,1-2H3,(H,28,32,33)
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n/an/a 96n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245574
PNG
(4-(2-chlorophenyl)-6-(2-(dimethylamino)ethyl)-9-hy...)
Show SMILES CN(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H20ClN3O3/c1-27(2)9-10-28-18-8-7-13(29)11-16(18)20-19(28)12-15(14-5-3-4-6-17(14)25)21-22(20)24(31)26-23(21)30/h3-8,11-12,29H,9-10H2,1-2H3,(H,26,30,31)
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n/an/a 96n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192349
PNG
(9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)
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n/an/a 97n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245732
PNG
(4-(2-chlorophenyl)-6-(3-(dimethylamino)propyl)-9-h...)
Show SMILES CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C25H22ClN3O3/c1-28(2)10-5-11-29-19-9-8-14(30)12-17(19)21-20(29)13-16(15-6-3-4-7-18(15)26)22-23(21)25(32)27-24(22)31/h3-4,6-9,12-13,30H,5,10-11H2,1-2H3,(H,27,31,32)
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n/an/a 100n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245621
PNG
(4-(2,6-dichlorophenyl)-9-hydroxy-6-(2-morpholinoet...)
Show SMILES Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(19.14,-37.63,;20.47,-38.4,;20.47,-39.95,;21.8,-40.72,;23.13,-39.95,;24.61,-40.42,;25.09,-41.89,;24.06,-43.03,;24.53,-44.5,;23.51,-45.64,;23.98,-47.1,;25.49,-47.42,;26.52,-46.28,;26.05,-44.81,;25.51,-39.17,;27.05,-39.01,;27.68,-37.6,;26.76,-36.35,;27.08,-34.85,;28.49,-34.23,;25.76,-34.08,;24.61,-35.1,;23.11,-34.78,;25.23,-36.51,;24.61,-37.91,;23.13,-38.39,;21.8,-37.63,;29.21,-37.44,;30.11,-38.69,;29.48,-40.1,;31.64,-38.53,;32.27,-37.12,;31.36,-35.88,;29.83,-36.04,;29.82,-34.5,)|
Show InChI InChI=1S/C26H21Cl2N3O4/c27-17-2-1-3-18(28)21(17)16-13-20-22(24-23(16)25(33)29-26(24)34)15-12-14(32)4-5-19(15)31(20)7-6-30-8-10-35-11-9-30/h1-5,12-13,32H,6-11H2,(H,29,33,34)
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n/an/a 110n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245146
PNG
(6-(3-(1H-imidazol-1-yl)propyl)-9-hydroxy-4-phenylp...)
Show SMILES Oc1ccc2n(CCCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C26H20N4O3/c31-17-7-8-20-19(13-17)22-21(30(20)11-4-10-29-12-9-27-15-29)14-18(16-5-2-1-3-6-16)23-24(22)26(33)28-25(23)32/h1-3,5-9,12-15,31H,4,10-11H2,(H,28,32,33)
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n/an/a 110n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245574
PNG
(4-(2-chlorophenyl)-6-(2-(dimethylamino)ethyl)-9-hy...)
Show SMILES CN(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H20ClN3O3/c1-27(2)9-10-28-18-8-7-13(29)11-16(18)20-19(28)12-15(14-5-3-4-6-17(14)25)21-22(20)24(31)26-23(21)30/h3-8,11-12,29H,9-10H2,1-2H3,(H,26,30,31)
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n/an/a 110n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245693
PNG
(4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-(methylamino...)
Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(17.83,-19.63,;19.34,-19.93,;20.36,-18.78,;19.88,-17.32,;20.9,-16.17,;20.41,-14.71,;18.93,-14.24,;17.59,-15.01,;16.26,-14.24,;16.26,-12.69,;14.93,-11.92,;17.59,-11.92,;18.92,-12.69,;20.4,-12.2,;21.01,-10.79,;20.38,-9.39,;18.87,-9.08,;21.51,-8.35,;22.85,-9.11,;24.25,-8.48,;22.54,-10.62,;23.47,-11.86,;22.85,-13.28,;21.31,-13.45,;24.99,-11.68,;25.91,-12.93,;25.3,-14.34,;27.44,-12.75,;28.05,-11.34,;27.13,-10.1,;25.6,-10.28,;25.59,-8.73,)|
Show InChI InChI=1S/C24H19Cl2N3O3/c1-27-8-3-9-29-17-7-6-12(30)10-13(17)20-18(29)11-14(19-15(25)4-2-5-16(19)26)21-22(20)24(32)28-23(21)31/h2,4-7,10-11,27,30H,3,8-9H2,1H3,(H,28,31,32)
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n/an/a 110n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245458
PNG
(4-(4-(2-Chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES OC(=O)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H17ClN2O5/c25-16-5-2-1-4-13(16)14-11-18-20(22-21(14)23(31)26-24(22)32)15-10-12(28)7-8-17(15)27(18)9-3-6-19(29)30/h1-2,4-5,7-8,10-11,28H,3,6,9H2,(H,29,30)(H,26,31,32)
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n/an/a 120n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245690
PNG
(6-(2-(1H-imidazol-1-yl)ethyl)-4-(2,6-dichloropheny...)
Show SMILES Oc1ccc2n(CCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(18.24,2.81,;19.57,2.04,;19.57,.49,;20.91,-.28,;22.25,.49,;23.73,.02,;24.21,-1.44,;23.19,-2.59,;23.68,-4.05,;25.14,-4.52,;25.16,-6.06,;23.69,-6.54,;22.78,-5.3,;24.63,1.28,;26.16,1.45,;26.78,2.87,;25.85,4.11,;26.16,5.62,;27.57,6.25,;24.83,6.38,;23.69,5.34,;22.18,5.65,;24.33,3.94,;23.71,2.53,;22.24,2.04,;20.9,2.81,;28.31,3.05,;29.22,1.81,;28.61,.39,;30.75,1.98,;31.37,3.39,;30.44,4.64,;28.92,4.45,;28.9,6,)|
Show InChI InChI=1S/C25H16Cl2N4O3/c26-16-2-1-3-17(27)20(16)15-11-19-21(23-22(15)24(33)29-25(23)34)14-10-13(32)4-5-18(14)31(19)9-8-30-7-6-28-12-30/h1-7,10-12,32H,8-9H2,(H,29,33,34)
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n/an/a 120n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245425
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-(1H-1,2,4-triazo...)
Show SMILES Oc1ccc2n(CCS(=O)c3nnc[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN5O4S/c25-16-4-2-1-3-13(16)14-10-18-19(21-20(14)22(32)28-23(21)33)15-9-12(31)5-6-17(15)30(18)7-8-35(34)24-26-11-27-29-24/h1-6,9-11,31H,7-8H2,(H,26,27,29)(H,28,32,33)
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n/an/a 120n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245733
PNG
(4-(2,6-dichlorophenyl)-6-(3-(dimethylamino)propyl)...)
Show SMILES CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(21.79,-32.39,;23.3,-32.7,;23.79,-34.16,;24.32,-31.55,;23.84,-30.08,;24.86,-28.93,;24.37,-27.47,;22.89,-27,;21.55,-27.77,;20.22,-27,;20.22,-25.46,;18.89,-24.69,;21.55,-24.69,;22.88,-25.45,;24.36,-24.96,;24.97,-23.55,;24.34,-22.15,;22.83,-21.84,;25.47,-21.12,;26.81,-21.88,;28.21,-21.24,;26.5,-23.38,;27.43,-24.62,;26.81,-26.04,;25.27,-26.21,;28.95,-24.45,;29.87,-25.69,;29.25,-27.1,;31.4,-25.51,;32.01,-24.1,;31.09,-22.86,;29.56,-23.04,;29.55,-21.5,)|
Show InChI InChI=1S/C25H21Cl2N3O3/c1-29(2)9-4-10-30-18-8-7-13(31)11-14(18)21-19(30)12-15(20-16(26)5-3-6-17(20)27)22-23(21)25(33)28-24(22)32/h3,5-8,11-12,31H,4,9-10H2,1-2H3,(H,28,32,33)
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n/an/a 140n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245576
PNG
(9-hydroxy-6-(2-morpholinoethyl)-4-phenylpyrrolo[3,...)
Show SMILES Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O4/c30-17-6-7-20-19(14-17)22-21(29(20)9-8-28-10-12-33-13-11-28)15-18(16-4-2-1-3-5-16)23-24(22)26(32)27-25(23)31/h1-7,14-15,30H,8-13H2,(H,27,31,32)
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n/an/a 140n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192433
PNG
(9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C21H14N2O3/c1-23-15-8-7-12(24)9-14(15)17-16(23)10-13(11-5-3-2-4-6-11)18-19(17)21(26)22-20(18)25/h2-10,24H,1H3,(H,22,25,26)
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n/an/a 140n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50232241
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-(3-hydroxypropyl)-p...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O4/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)25-23(21)30)15-10-12(28)6-7-17(15)26(18)8-3-9-27/h1-2,4-7,10-11,27-28H,3,8-9H2,(H,25,29,30)
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n/an/a 170n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245575
PNG
(4-(2,6-dichlorophenyl)-6-(2-(dimethylamino)ethyl)-...)
Show SMILES CN(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(24.43,-31.38,;22.93,-31.06,;21.9,-32.21,;22.45,-29.6,;23.48,-28.45,;23,-26.99,;21.52,-26.51,;20.19,-27.28,;18.86,-26.51,;18.86,-24.97,;17.52,-24.2,;20.19,-24.2,;21.52,-24.96,;23,-24.48,;23.63,-23.07,;23,-21.67,;21.5,-21.34,;24.15,-20.64,;25.48,-21.41,;26.88,-20.79,;25.15,-22.91,;26.08,-24.17,;25.44,-25.58,;23.9,-25.74,;27.6,-24.01,;28.5,-25.26,;27.88,-26.66,;30.03,-25.1,;30.66,-23.69,;29.75,-22.44,;28.22,-22.61,;28.21,-21.06,)|
Show InChI InChI=1S/C24H19Cl2N3O3/c1-28(2)8-9-29-17-7-6-12(30)10-13(17)20-18(29)11-14(19-15(25)4-3-5-16(19)26)21-22(20)24(32)27-23(21)31/h3-7,10-11,30H,8-9H2,1-2H3,(H,27,31,32)
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n/an/a 170n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245303
PNG
(CHEMBL518048 | N-[2-(Dimethylamino)ethyl]-3-(9-hyd...)
Show SMILES CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C27H26N4O4/c1-30(2)13-11-28-22(33)10-12-31-20-9-8-17(32)14-19(20)23-21(31)15-18(16-6-4-3-5-7-16)24-25(23)27(35)29-26(24)34/h3-9,14-15,32H,10-13H2,1-2H3,(H,28,33)(H,29,34,35)
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n/an/a 170n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245548
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-(3-methoxypropyl)-p...)
Show SMILES COCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H19ClN2O4/c1-31-10-4-9-27-18-8-7-13(28)11-16(18)20-19(27)12-15(14-5-2-3-6-17(14)25)21-22(20)24(30)26-23(21)29/h2-3,5-8,11-12,28H,4,9-10H2,1H3,(H,26,29,30)
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n/an/a 180n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245525
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C23H14ClN3O3/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)26-23(21)30)15-10-12(28)6-7-17(15)27(18)9-3-8-25/h1-2,4-7,10-11,28H,3,9H2,(H,26,29,30)
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n/an/a 200n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245495
PNG
(9-Hydroxy-6-(3-hydroxypropyl)-4-phenylpyrrolo-[3,4...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C23H18N2O4/c26-10-4-9-25-17-8-7-14(27)11-16(17)19-18(25)12-15(13-5-2-1-3-6-13)20-21(19)23(29)24-22(20)28/h1-3,5-8,11-12,26-27H,4,9-10H2,(H,24,28,29)
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n/an/a 200n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245573
PNG
(6-(2-(dimethylamino)ethyl)-9-hydroxy-4-phenylpyrro...)
Show SMILES CN(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c1-26(2)10-11-27-18-9-8-15(28)12-17(18)20-19(27)13-16(14-6-4-3-5-7-14)21-22(20)24(30)25-23(21)29/h3-9,12-13,28H,10-11H2,1-2H3,(H,25,29,30)
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n/an/a 200n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245256
PNG
(9-hydroxy-6-(3-(4-methylpiperazin-1-yl)propyl)-4-p...)
Show SMILES CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2ccccc2)CC1
Show InChI InChI=1S/C28H28N4O3/c1-30-12-14-31(15-13-30)10-5-11-32-22-9-8-19(33)16-21(22)24-23(32)17-20(18-6-3-2-4-7-18)25-26(24)28(35)29-27(25)34/h2-4,6-9,16-17,33H,5,10-15H2,1H3,(H,29,34,35)
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n/an/a 200n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245546
PNG
(CHEMBL487891 | Methyl 3-(4-(2-chlorophenyl)-9-hydr...)
Show SMILES COC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H17ClN2O5/c1-32-19(29)8-9-27-17-7-6-12(28)10-15(17)20-18(27)11-14(13-4-2-3-5-16(13)25)21-22(20)24(31)26-23(21)30/h2-7,10-11,28H,8-9H2,1H3,(H,26,30,31)
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n/an/a 200n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245259
PNG
(9-hydroxy-4-phenyl-6-(3-(phenylamino)propyl)pyrrol...)
Show SMILES Oc1ccc2n(CCCNc3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C29H23N3O3/c33-20-12-13-23-22(16-20)25-24(32(23)15-7-14-30-19-10-5-2-6-11-19)17-21(18-8-3-1-4-9-18)26-27(25)29(35)31-28(26)34/h1-6,8-13,16-17,30,33H,7,14-15H2,(H,31,34,35)
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n/an/a 210n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50192411
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methylpyrrolo[3,4-c...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H13ClN2O3/c1-24-15-7-6-10(25)8-13(15)17-16(24)9-12(11-4-2-3-5-14(11)22)18-19(17)21(27)23-20(18)26/h2-9,25H,1H3,(H,23,26,27)
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n/an/a 220n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245622
PNG
(6-(2-(1H-imidazol-1-yl)ethyl)-9-hydroxy-4-phenylpy...)
Show SMILES Oc1ccc2n(CCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C25H18N4O3/c30-16-6-7-19-18(12-16)21-20(29(19)11-10-28-9-8-26-14-28)13-17(15-4-2-1-3-5-15)22-23(21)25(32)27-24(22)31/h1-9,12-14,30H,10-11H2,(H,27,31,32)
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n/an/a 230n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245547
PNG
(4-(4-(2-Chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES Oc1ccc2n(CCCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN3O3/c25-17-6-2-1-5-14(17)15-12-19-20(22-21(15)23(30)27-24(22)31)16-11-13(29)7-8-18(16)28(19)10-4-3-9-26/h1-2,5-8,11-12,29H,3-4,10H2,(H,27,30,31)
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n/an/a 230n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245525
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C23H14ClN3O3/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)26-23(21)30)15-10-12(28)6-7-17(15)27(18)9-3-8-25/h1-2,4-7,10-11,28H,3,9H2,(H,26,29,30)
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n/an/a<250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by Western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50232241
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-(3-hydroxypropyl)-p...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O4/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)25-23(21)30)15-10-12(28)6-7-17(15)26(18)8-3-9-27/h1-2,4-7,10-11,27-28H,3,8-9H2,(H,25,29,30)
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n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245692
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(3-(methylamino)pro...)
Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H20ClN3O3/c1-26-9-4-10-28-18-8-7-13(29)11-16(18)20-19(28)12-15(14-5-2-3-6-17(14)25)21-22(20)24(31)27-23(21)30/h2-3,5-8,11-12,26,29H,4,9-10H2,1H3,(H,27,30,31)
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n/an/a<250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245304
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C27H25ClN4O4/c1-31(2)12-10-29-22(34)9-11-32-20-8-7-15(33)13-18(20)23-21(32)14-17(16-5-3-4-6-19(16)28)24-25(23)27(36)30-26(24)35/h3-8,13-14,33H,9-12H2,1-2H3,(H,29,34)(H,30,35,36)
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n/an/a<250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by Western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245343
PNG
(4-(2-Chlorophenyl)-6-[3-(dimethylamino)-2-hydro-xy...)
Show SMILES CN(C)CC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C25H22ClN3O4/c1-28(2)11-14(31)12-29-19-8-7-13(30)9-17(19)21-20(29)10-16(15-5-3-4-6-18(15)26)22-23(21)25(33)27-24(22)32/h3-10,14,30-31H,11-12H2,1-2H3,(H,27,32,33)
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n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245620
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(2-morpholinoethyl)...)
Show SMILES Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C26H22ClN3O4/c27-19-4-2-1-3-16(19)17-14-21-22(24-23(17)25(32)28-26(24)33)18-13-15(31)5-6-20(18)30(21)8-7-29-9-11-34-12-10-29/h1-6,13-14,31H,7-12H2,(H,28,32,33)
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n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245386
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES CS(=O)(=O)NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H18ClN3O6S/c1-35(33,34)27-19(30)8-9-28-17-7-6-12(29)10-15(17)20-18(28)11-14(13-4-2-3-5-16(13)25)21-22(20)24(32)26-23(21)31/h2-7,10-11,29H,8-9H2,1H3,(H,27,30)(H,26,31,32)
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n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245622
PNG
(6-(2-(1H-imidazol-1-yl)ethyl)-9-hydroxy-4-phenylpy...)
Show SMILES Oc1ccc2n(CCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C25H18N4O3/c30-16-6-7-19-18(12-16)21-20(29(19)11-10-28-9-8-26-14-28)13-17(15-4-2-1-3-5-15)22-23(21)25(32)27-24(22)31/h1-9,12-14,30H,10-11H2,(H,27,31,32)
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n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245623
PNG
(6-(2-(1H-imidazol-1-yl)ethyl)-4-(2-chlorophenyl)-9...)
Show SMILES Oc1ccc2n(CCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C25H17ClN4O3/c26-18-4-2-1-3-15(18)16-12-20-21(23-22(16)24(32)28-25(23)33)17-11-14(31)5-6-19(17)30(20)10-9-29-8-7-27-13-29/h1-8,11-13,31H,9-10H2,(H,28,32,33)
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n/an/a 270n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245576
PNG
(9-hydroxy-6-(2-morpholinoethyl)-4-phenylpyrrolo[3,...)
Show SMILES Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C26H23N3O4/c30-17-6-7-20-19(14-17)22-21(29(20)9-8-28-10-12-33-13-11-28)15-18(16-4-2-1-3-5-16)23-24(22)26(32)27-25(23)31/h1-7,14-15,30H,8-13H2,(H,27,31,32)
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n/an/a 280n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245691
PNG
(9-hydroxy-6-(3-(methylamino)propyl)-4-phenylpyrrol...)
Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c1-25-10-5-11-27-18-9-8-15(28)12-17(18)20-19(27)13-16(14-6-3-2-4-7-14)21-22(20)24(30)26-23(21)29/h2-4,6-9,12-13,25,28H,5,10-11H2,1H3,(H,26,29,30)
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n/an/a 280n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245734
PNG
(9-hydroxy-6-(3-morpholinopropyl)-4-phenylpyrrolo[3...)
Show SMILES Oc1ccc2n(CCCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C27H25N3O4/c31-18-7-8-21-20(15-18)23-22(30(21)10-4-9-29-11-13-34-14-12-29)16-19(17-5-2-1-3-6-17)24-25(23)27(33)28-26(24)32/h1-3,5-8,15-16,31H,4,9-14H2,(H,28,32,33)
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n/an/a 290n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245256
PNG
(9-hydroxy-6-(3-(4-methylpiperazin-1-yl)propyl)-4-p...)
Show SMILES CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2ccccc2)CC1
Show InChI InChI=1S/C28H28N4O3/c1-30-12-14-31(15-13-30)10-5-11-32-22-9-8-19(33)16-21(22)24-23(32)17-20(18-6-3-2-4-7-18)25-26(24)28(35)29-27(25)34/h2-4,6-9,16-17,33H,5,10-15H2,1H3,(H,29,34,35)
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n/an/a 300n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245524
PNG
(3-(4-(2,6-dichlorophenyl)-9-hydroxy-1,3-dioxo-2,3-...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(-7.22,-5.81,;-6.19,-4.67,;-4.68,-4.98,;-6.66,-3.2,;-5.64,-2.06,;-6.11,-.59,;-7.59,-.11,;-8.92,-.88,;-10.26,-.11,;-10.25,1.43,;-11.59,2.2,;-8.92,2.2,;-7.59,1.44,;-6.11,1.92,;-5.49,3.33,;-6.11,4.73,;-7.61,5.05,;-4.97,5.76,;-3.64,4.99,;-2.23,5.61,;-3.96,3.48,;-3.04,2.23,;-3.67,.82,;-5.21,.66,;-1.51,2.39,;-.61,1.14,;-1.24,-.26,;.92,1.3,;1.55,2.71,;.64,3.96,;-.89,3.79,;-.9,5.34,)|
Show InChI InChI=1S/C23H15Cl2N3O4/c24-13-2-1-3-14(25)18(13)12-9-16-19(21-20(12)22(31)27-23(21)32)11-8-10(29)4-5-15(11)28(16)7-6-17(26)30/h1-5,8-9,29H,6-7H2,(H2,26,30)(H,27,31,32)
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n/an/a 330n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245731
PNG
(6-[3-(Dimethylamino)propyl]-9-hydroxy-4-phenylpyrr...)
Show SMILES CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C25H23N3O3/c1-27(2)11-6-12-28-19-10-9-16(29)13-18(19)21-20(28)14-17(15-7-4-3-5-8-15)22-23(21)25(31)26-24(22)30/h3-5,7-10,13-14,29H,6,11-12H2,1-2H3,(H,26,30,31)
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n/an/a 360n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245524
PNG
(3-(4-(2,6-dichlorophenyl)-9-hydroxy-1,3-dioxo-2,3-...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(-7.22,-5.81,;-6.19,-4.67,;-4.68,-4.98,;-6.66,-3.2,;-5.64,-2.06,;-6.11,-.59,;-7.59,-.11,;-8.92,-.88,;-10.26,-.11,;-10.25,1.43,;-11.59,2.2,;-8.92,2.2,;-7.59,1.44,;-6.11,1.92,;-5.49,3.33,;-6.11,4.73,;-7.61,5.05,;-4.97,5.76,;-3.64,4.99,;-2.23,5.61,;-3.96,3.48,;-3.04,2.23,;-3.67,.82,;-5.21,.66,;-1.51,2.39,;-.61,1.14,;-1.24,-.26,;.92,1.3,;1.55,2.71,;.64,3.96,;-.89,3.79,;-.9,5.34,)|
Show InChI InChI=1S/C23H15Cl2N3O4/c24-13-2-1-3-14(25)18(13)12-9-16-19(21-20(12)22(31)27-23(21)32)11-8-10(29)4-5-15(11)28(16)7-6-17(26)30/h1-5,8-9,29H,6-7H2,(H2,26,30)(H,27,31,32)
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n/an/a 360n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245734
PNG
(9-hydroxy-6-(3-morpholinopropyl)-4-phenylpyrrolo[3...)
Show SMILES Oc1ccc2n(CCCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C27H25N3O4/c31-18-7-8-21-20(15-18)23-22(30(21)10-4-9-29-11-13-34-14-12-29)16-19(17-5-2-1-3-6-17)24-25(23)27(33)28-26(24)32/h1-3,5-8,15-16,31H,4,9-14H2,(H,28,32,33)
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n/an/a 380n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245385
PNG
(3-(4-(2,6-dichlorophenyl)-9-hydroxy-1,3-dioxo-2,3-...)
Show SMILES OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(7.04,-32.43,;8.06,-31.27,;9.57,-31.59,;7.57,-29.81,;8.59,-28.66,;8.11,-27.2,;6.63,-26.73,;5.29,-27.5,;3.95,-26.73,;3.96,-25.18,;2.62,-24.41,;5.29,-24.41,;6.62,-25.18,;8.09,-24.69,;8.71,-23.28,;8.07,-21.88,;6.57,-21.57,;9.21,-20.84,;10.55,-21.6,;11.95,-20.97,;10.24,-23.11,;11.16,-24.35,;10.54,-25.77,;9.01,-25.94,;12.69,-24.18,;13.61,-25.42,;12.99,-26.83,;15.13,-25.24,;15.75,-23.83,;14.82,-22.59,;13.3,-22.77,;13.28,-21.23,)|
Show InChI InChI=1S/C23H14Cl2N2O5/c24-13-2-1-3-14(25)18(13)12-9-16-19(21-20(12)22(31)26-23(21)32)11-8-10(28)4-5-15(11)27(16)7-6-17(29)30/h1-5,8-9,28H,6-7H2,(H,29,30)(H,26,31,32)
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n/an/a 390n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 assessed as polyornithine-tyrosine copolymer phosphorylation


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245344
PNG
(3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo...)
Show SMILES OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C23H16N2O5/c26-13-6-7-16-15(10-13)19-17(25(16)9-8-18(27)28)11-14(12-4-2-1-3-5-12)20-21(19)23(30)24-22(20)29/h1-7,10-11,26H,8-9H2,(H,27,28)(H,24,29,30)
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n/an/a 410n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245496
PNG
(4-(2,6-Dichlorophenyl)-9-hydroxy-6-(3-hydroxypropy...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(23.53,-35.27,;24.56,-34.12,;24.08,-32.66,;25.11,-31.51,;24.63,-30.05,;23.16,-29.57,;21.82,-30.34,;20.49,-29.57,;20.49,-28.02,;19.16,-27.25,;21.82,-27.25,;23.16,-28.02,;24.63,-27.54,;25.26,-26.13,;24.64,-24.72,;23.13,-24.4,;25.78,-23.7,;27.11,-24.47,;28.52,-23.85,;26.79,-25.97,;27.71,-27.22,;27.08,-28.64,;25.54,-28.79,;29.23,-27.06,;30.14,-28.31,;29.51,-29.72,;31.67,-28.15,;32.3,-26.75,;31.38,-25.5,;29.86,-25.66,;29.84,-24.12,)|
Show InChI InChI=1S/C23H16Cl2N2O4/c24-14-3-1-4-15(25)18(14)13-10-17-19(21-20(13)22(30)26-23(21)31)12-9-11(29)5-6-16(12)27(17)7-2-8-28/h1,3-6,9-10,28-29H,2,7-8H2,(H,26,30,31)
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n/an/a 410n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245456
PNG
(4-(2-Chlorophenyl)-6-(2-hydroxyethyl)-9-hydroxypyr...)
Show SMILES OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H15ClN2O4/c23-15-4-2-1-3-12(15)13-10-17-18(20-19(13)21(28)24-22(20)29)14-9-11(27)5-6-16(14)25(17)7-8-26/h1-6,9-10,26-27H,7-8H2,(H,24,28,29)
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n/an/a 420n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245424
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-(4H-1,2,4-triazo...)
Show SMILES Oc1ccc2n(CCSc3nnc[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN5O3S/c25-16-4-2-1-3-13(16)14-10-18-19(21-20(14)22(32)28-23(21)33)15-9-12(31)5-6-17(15)30(18)7-8-34-24-26-11-27-29-24/h1-6,9-11,31H,7-8H2,(H,26,27,29)(H,28,32,33)
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n/an/a 420n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50192371
PNG
(4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C20H11ClN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
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n/an/a 440n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245457
PNG
(4-(2,6-Dichlorophenyl)-9-hydroxy-6-(2-hydroxyethyl...)
Show SMILES OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(20.53,-24.9,;20.05,-23.43,;21.08,-22.29,;20.6,-20.82,;19.13,-20.34,;17.8,-21.11,;16.46,-20.34,;16.46,-18.8,;15.13,-18.03,;17.79,-18.03,;19.13,-18.79,;20.6,-18.31,;21.23,-16.9,;20.61,-15.5,;19.1,-15.18,;21.75,-14.47,;23.08,-15.24,;24.49,-14.62,;22.76,-16.75,;23.68,-18,;23.05,-19.41,;21.51,-19.57,;25.2,-17.84,;26.11,-19.09,;25.48,-20.49,;27.64,-18.93,;28.27,-17.52,;27.35,-16.27,;25.83,-16.44,;25.81,-14.89,)|
Show InChI InChI=1S/C22H14Cl2N2O4/c23-13-2-1-3-14(24)17(13)12-9-16-18(20-19(12)21(29)25-22(20)30)11-8-10(28)4-5-15(11)26(16)6-7-27/h1-5,8-9,27-28H,6-7H2,(H,25,29,30)
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n/an/a 580n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245459
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[3-(1H-tetrazol-5-y...)
Show SMILES Oc1ccc2n(CCCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H17ClN6O3/c25-16-5-2-1-4-13(16)14-11-18-20(22-21(14)23(33)26-24(22)34)15-10-12(32)7-8-17(15)31(18)9-3-6-19-27-29-30-28-19/h1-2,4-5,7-8,10-11,32H,3,6,9H2,(H,26,33,34)(H,27,28,29,30)
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n/an/a 630n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50232241
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-(3-hydroxypropyl)-p...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O4/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)25-23(21)30)15-10-12(28)6-7-17(15)26(18)8-3-9-27/h1-2,4-7,10-11,27-28H,3,8-9H2,(H,25,29,30)
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n/an/a 650n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2/cyclin B assessed as inhibition of histone H1 phosphorylation in human HT29 cells


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245692
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(3-(methylamino)pro...)
Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H20ClN3O3/c1-26-9-4-10-28-18-8-7-13(29)11-16(18)20-19(28)12-15(14-5-2-3-6-17(14)25)21-22(20)24(31)27-23(21)30/h2-3,5-8,11-12,26,29H,4,9-10H2,1H3,(H,27,30,31)
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n/an/a 710n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by Western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245302
PNG
(4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-(phenylamino...)
Show SMILES Oc1ccc2n(CCCNc3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(17.36,-29.28,;18.7,-30.05,;18.69,-31.6,;20.03,-32.37,;21.37,-31.6,;22.85,-32.07,;23.33,-33.53,;22.31,-34.68,;22.8,-36.14,;21.78,-37.29,;22.26,-38.76,;21.24,-39.9,;21.72,-41.36,;23.23,-41.67,;24.26,-40.51,;23.77,-39.05,;23.75,-30.81,;25.28,-30.64,;25.9,-29.22,;24.97,-27.98,;25.28,-26.47,;26.69,-25.84,;23.95,-25.71,;22.81,-26.75,;21.31,-26.44,;23.45,-28.15,;22.83,-29.56,;21.36,-30.05,;20.02,-29.28,;27.43,-29.04,;28.34,-30.29,;27.73,-31.7,;29.87,-30.11,;30.49,-28.7,;29.56,-27.46,;28.04,-27.64,;28.02,-26.09,)|
Show InChI InChI=1S/C29H21Cl2N3O3/c30-20-8-4-9-21(31)24(20)19-15-23-25(27-26(19)28(36)33-29(27)37)18-14-17(35)10-11-22(18)34(23)13-5-12-32-16-6-2-1-3-7-16/h1-4,6-11,14-15,32,35H,5,12-13H2,(H,33,36,37)
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n/an/a 730n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245341
PNG
(3-(4-(2,6-dichlorophenyl)-9-hydroxy-1,3-dioxo-2,3-...)
Show SMILES CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(18.95,-7.42,;19.98,-6.27,;19.49,-4.8,;21.48,-6.57,;22.51,-5.42,;24.02,-5.73,;25.04,-4.58,;26.55,-4.89,;24.55,-3.12,;25.57,-1.97,;25.09,-.51,;23.61,-.04,;22.27,-.81,;20.93,-.04,;20.94,1.51,;19.6,2.28,;22.26,2.28,;23.6,1.52,;25.07,2,;25.69,3.41,;25.05,4.81,;23.55,5.13,;26.19,5.85,;27.52,5.09,;28.93,5.72,;27.21,3.58,;28.14,2.34,;27.52,.93,;25.99,.76,;29.67,2.52,;30.58,1.28,;29.97,-.13,;32.11,1.45,;32.73,2.87,;31.8,4.11,;30.28,3.93,;30.26,5.47,)|
Show InChI InChI=1S/C27H24Cl2N4O4/c1-32(2)11-9-30-21(35)8-10-33-19-7-6-14(34)12-15(19)23-20(33)13-16(22-17(28)4-3-5-18(22)29)24-25(23)27(37)31-26(24)36/h3-7,12-13,34H,8-11H2,1-2H3,(H,30,35)(H,31,36,37)
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n/an/a 750n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245620
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(2-morpholinoethyl)...)
Show SMILES Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C26H22ClN3O4/c27-19-4-2-1-3-16(19)17-14-21-22(24-23(17)25(32)28-26(24)33)18-13-15(31)5-6-20(18)30(21)8-7-29-9-11-34-12-10-29/h1-6,13-14,31H,7-12H2,(H,28,32,33)
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n/an/a 770n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245257
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(3-(4-methylpiperaz...)
Show SMILES CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2ccccc2Cl)CC1
Show InChI InChI=1S/C28H27ClN4O3/c1-31-11-13-32(14-12-31)9-4-10-33-22-8-7-17(34)15-20(22)24-23(33)16-19(18-5-2-3-6-21(18)29)25-26(24)28(36)30-27(25)35/h2-3,5-8,15-16,34H,4,9-14H2,1H3,(H,30,35,36)
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n/an/a 830n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245575
PNG
(4-(2,6-dichlorophenyl)-6-(2-(dimethylamino)ethyl)-...)
Show SMILES CN(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(24.43,-31.38,;22.93,-31.06,;21.9,-32.21,;22.45,-29.6,;23.48,-28.45,;23,-26.99,;21.52,-26.51,;20.19,-27.28,;18.86,-26.51,;18.86,-24.97,;17.52,-24.2,;20.19,-24.2,;21.52,-24.96,;23,-24.48,;23.63,-23.07,;23,-21.67,;21.5,-21.34,;24.15,-20.64,;25.48,-21.41,;26.88,-20.79,;25.15,-22.91,;26.08,-24.17,;25.44,-25.58,;23.9,-25.74,;27.6,-24.01,;28.5,-25.26,;27.88,-26.66,;30.03,-25.1,;30.66,-23.69,;29.75,-22.44,;28.22,-22.61,;28.21,-21.06,)|
Show InChI InChI=1S/C24H19Cl2N3O3/c1-28(2)8-9-29-17-7-6-12(30)10-13(17)20-18(29)11-14(19-15(25)4-3-5-16(19)26)21-22(20)24(32)27-23(21)31/h3-7,10-11,30H,8-9H2,1-2H3,(H,27,31,32)
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n/an/a 850n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245144
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(3-morpholinopropyl...)
Show SMILES Oc1ccc2n(CCCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C27H24ClN3O4/c28-20-5-2-1-4-17(20)18-15-22-23(25-24(18)26(33)29-27(25)34)19-14-16(32)6-7-21(19)31(22)9-3-8-30-10-12-35-13-11-30/h1-2,4-7,14-15,32H,3,8-13H2,(H,29,33,34)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50192399
PNG
(4-(2,6-dichlorophenyl)-9-hydroxypyrrolo[3,4-c]carb...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(-8.44,-32.87,;-7.11,-33.63,;-7.11,-35.18,;-5.78,-35.95,;-4.44,-35.18,;-2.97,-35.66,;-2.06,-34.4,;-.53,-34.25,;.11,-32.83,;-.82,-31.58,;-.49,-30.08,;.91,-29.46,;-1.82,-29.31,;-2.97,-30.34,;-4.47,-30.01,;-2.34,-31.74,;-2.97,-33.15,;-4.44,-33.63,;-5.78,-32.86,;1.63,-32.67,;2.53,-33.91,;1.91,-35.32,;4.06,-33.75,;4.69,-32.34,;3.77,-31.09,;2.25,-31.27,;1.33,-30.02,)|
Show InChI InChI=1S/C20H10Cl2N2O3/c21-11-2-1-3-12(22)15(11)10-7-14-16(18-17(10)19(26)24-20(18)27)9-6-8(25)4-5-13(9)23-14/h1-7,23,25H,(H,24,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245178
PNG
(6-(3-(1H-imidazol-1-yl)propyl)-4-(2,6-dichlorophen...)
Show SMILES Oc1ccc2n(CCCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(17.41,2.71,;18.74,1.94,;18.74,.39,;20.07,-.38,;21.42,.39,;22.89,-.08,;23.38,-1.54,;22.36,-2.69,;22.84,-4.15,;21.82,-5.3,;22.15,-6.81,;20.82,-7.59,;19.67,-6.57,;20.29,-5.15,;23.79,1.18,;25.33,1.35,;25.95,2.77,;25.02,4.01,;25.33,5.52,;26.73,6.15,;24,6.28,;22.86,5.24,;21.35,5.55,;23.49,3.84,;22.88,2.43,;21.41,1.94,;20.07,2.71,;27.48,2.95,;28.39,1.7,;27.78,.29,;29.92,1.88,;30.53,3.29,;29.61,4.53,;28.08,4.35,;28.07,5.9,)|
Show InChI InChI=1S/C26H18Cl2N4O3/c27-17-3-1-4-18(28)21(17)16-12-20-22(24-23(16)25(34)30-26(24)35)15-11-14(33)5-6-19(15)32(20)9-2-8-31-10-7-29-13-31/h1,3-7,10-13,33H,2,8-9H2,(H,30,34,35)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245304
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C27H25ClN4O4/c1-31(2)12-10-29-22(34)9-11-32-20-8-7-15(33)13-18(20)23-21(32)14-17(16-5-3-4-6-19(16)28)24-25(23)27(36)30-26(24)35/h3-8,13-14,33H,9-12H2,1-2H3,(H,29,34)(H,30,35,36)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2/cyclin B assessed as inhibition of histone H1 phosphorylation in human HT29 cells


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245423
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-(1H-tetrazol-5-y...)
Show SMILES Oc1ccc2n(CCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C23H15ClN6O3/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(32)25-23(21)33)14-9-11(31)5-6-16(14)30(17)8-7-18-26-28-29-27-18/h1-6,9-10,31H,7-8H2,(H,25,32,33)(H,26,27,28,29)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245258
PNG
(4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-(4-methylpip...)
Show SMILES CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2c(Cl)cccc2Cl)CC1 |(20.56,-23.44,;21.58,-22.29,;21.1,-20.83,;22.12,-19.69,;23.63,-20,;24.66,-18.84,;24.17,-17.38,;25.19,-16.23,;24.71,-14.77,;23.23,-14.3,;21.89,-15.07,;20.55,-14.3,;20.55,-12.76,;19.22,-11.99,;21.88,-11.98,;23.22,-12.75,;24.69,-12.26,;25.31,-10.85,;24.67,-9.45,;23.16,-9.14,;25.81,-8.41,;27.14,-9.17,;28.55,-8.54,;26.83,-10.68,;27.76,-11.92,;27.14,-13.34,;25.61,-13.51,;29.29,-11.75,;30.2,-12.99,;29.59,-14.4,;31.73,-12.81,;32.35,-11.4,;31.42,-10.16,;29.9,-10.34,;29.88,-8.8,;24.12,-21.46,;23.09,-22.61,)|
Show InChI InChI=1S/C28H26Cl2N4O3/c1-32-10-12-33(13-11-32)8-3-9-34-21-7-6-16(35)14-17(21)24-22(34)15-18(23-19(29)4-2-5-20(23)30)25-26(24)28(37)31-27(25)36/h2,4-7,14-15,35H,3,8-13H2,1H3,(H,31,36,37)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245620
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(2-morpholinoethyl)...)
Show SMILES Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C26H22ClN3O4/c27-19-4-2-1-3-16(19)17-14-21-22(24-23(17)25(32)28-26(24)33)18-13-15(31)5-6-20(18)30(21)8-7-29-9-11-34-12-10-29/h1-6,13-14,31H,7-12H2,(H,28,32,33)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2/cyclin B assessed as inhibition of histone H1 phosphorylation in human HT29 cells


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50245549
PNG
(4-(2-Chlorophenyl)-6-(2,3-dihydroxypropyl)-9-hydro...)
Show SMILES OCC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O5/c24-16-4-2-1-3-13(16)14-8-18-19(21-20(14)22(30)25-23(21)31)15-7-11(28)5-6-17(15)26(18)9-12(29)10-27/h1-8,12,27-29H,9-10H2,(H,25,30,31)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245386
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES CS(=O)(=O)NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H18ClN3O6S/c1-35(33,34)27-19(30)8-9-28-17-7-6-12(29)10-15(17)20-18(28)11-14(13-4-2-3-5-16(13)25)21-22(20)24(32)26-23(21)31/h2-7,10-11,29H,8-9H2,1H3,(H,27,30)(H,26,31,32)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245423
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-(1H-tetrazol-5-y...)
Show SMILES Oc1ccc2n(CCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C23H15ClN6O3/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(32)25-23(21)33)14-9-11(31)5-6-16(14)30(17)8-7-18-26-28-29-27-18/h1-6,9-10,31H,7-8H2,(H,25,32,33)(H,26,27,28,29)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245423
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[2-(1H-tetrazol-5-y...)
Show SMILES Oc1ccc2n(CCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C23H15ClN6O3/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(32)25-23(21)33)14-9-11(31)5-6-16(14)30(17)8-7-18-26-28-29-27-18/h1-6,9-10,31H,7-8H2,(H,25,32,33)(H,26,27,28,29)
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n/an/a>3.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by Western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245525
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C23H14ClN3O3/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)26-23(21)30)15-10-12(28)6-7-17(15)27(18)9-3-8-25/h1-2,4-7,10-11,28H,3,9H2,(H,26,29,30)
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n/an/a>3.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2/cyclin B assessed as inhibition of histone H1 phosphorylation in human HT29 cells


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245690
PNG
(6-(2-(1H-imidazol-1-yl)ethyl)-4-(2,6-dichloropheny...)
Show SMILES Oc1ccc2n(CCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(18.24,2.81,;19.57,2.04,;19.57,.49,;20.91,-.28,;22.25,.49,;23.73,.02,;24.21,-1.44,;23.19,-2.59,;23.68,-4.05,;25.14,-4.52,;25.16,-6.06,;23.69,-6.54,;22.78,-5.3,;24.63,1.28,;26.16,1.45,;26.78,2.87,;25.85,4.11,;26.16,5.62,;27.57,6.25,;24.83,6.38,;23.69,5.34,;22.18,5.65,;24.33,3.94,;23.71,2.53,;22.24,2.04,;20.9,2.81,;28.31,3.05,;29.22,1.81,;28.61,.39,;30.75,1.98,;31.37,3.39,;30.44,4.64,;28.92,4.45,;28.9,6,)|
Show InChI InChI=1S/C25H16Cl2N4O3/c26-16-2-1-3-17(27)20(16)15-11-19-21(23-22(15)24(33)29-25(23)34)14-10-13(32)4-5-18(14)31(19)9-8-30-7-6-28-12-30/h1-7,10-12,32H,8-9H2,(H,29,33,34)
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245459
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[3-(1H-tetrazol-5-y...)
Show SMILES Oc1ccc2n(CCCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H17ClN6O3/c25-16-5-2-1-4-13(16)14-11-18-20(22-21(14)23(33)26-24(22)34)15-10-12(32)7-8-17(15)31(18)9-3-6-19-27-29-30-28-19/h1-2,4-5,7-8,10-11,32H,3,6,9H2,(H,26,33,34)(H,27,28,29,30)
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n/an/a>3.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by Western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245458
PNG
(4-(4-(2-Chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES OC(=O)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H17ClN2O5/c25-16-5-2-1-4-13(16)14-11-18-20(22-21(14)23(31)26-24(22)32)15-10-12(28)7-8-17(15)27(18)9-3-6-19(29)30/h1-2,4-5,7-8,10-11,28H,3,6,9H2,(H,29,30)(H,26,31,32)
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n/an/a>3.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2/cyclin B assessed as inhibition of histone H1 phosphorylation in human HT29 cells


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245523
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)
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n/an/a>3.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2/cyclin B assessed as inhibition of histone H1 phosphorylation in human HT29 cells


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245386
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES CS(=O)(=O)NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H18ClN3O6S/c1-35(33,34)27-19(30)8-9-28-17-7-6-12(29)10-15(17)20-18(28)11-14(13-4-2-3-5-16(13)25)21-22(20)24(32)26-23(21)31/h2-7,10-11,29H,8-9H2,1H3,(H,27,30)(H,26,31,32)
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n/an/a>3.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2/cyclin B assessed as inhibition of histone H1 phosphorylation in human HT29 cells


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245343
PNG
(4-(2-Chlorophenyl)-6-[3-(dimethylamino)-2-hydro-xy...)
Show SMILES CN(C)CC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C25H22ClN3O4/c1-28(2)11-14(31)12-29-19-8-7-13(30)9-17(19)21-20(29)10-16(15-5-3-4-6-18(15)26)22-23(21)25(33)27-24(22)32/h3-10,14,30-31H,11-12H2,1-2H3,(H,27,32,33)
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n/an/a>3.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2/cyclin B assessed as inhibition of histone H1 phosphorylation in human HT29 cells


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245621
PNG
(4-(2,6-dichlorophenyl)-9-hydroxy-6-(2-morpholinoet...)
Show SMILES Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(19.14,-37.63,;20.47,-38.4,;20.47,-39.95,;21.8,-40.72,;23.13,-39.95,;24.61,-40.42,;25.09,-41.89,;24.06,-43.03,;24.53,-44.5,;23.51,-45.64,;23.98,-47.1,;25.49,-47.42,;26.52,-46.28,;26.05,-44.81,;25.51,-39.17,;27.05,-39.01,;27.68,-37.6,;26.76,-36.35,;27.08,-34.85,;28.49,-34.23,;25.76,-34.08,;24.61,-35.1,;23.11,-34.78,;25.23,-36.51,;24.61,-37.91,;23.13,-38.39,;21.8,-37.63,;29.21,-37.44,;30.11,-38.69,;29.48,-40.1,;31.64,-38.53,;32.27,-37.12,;31.36,-35.88,;29.83,-36.04,;29.82,-34.5,)|
Show InChI InChI=1S/C26H21Cl2N3O4/c27-17-2-1-3-18(28)21(17)16-13-20-22(24-23(16)25(33)29-26(24)34)15-12-14(32)4-5-19(15)31(20)7-6-30-8-10-35-11-9-30/h1-5,12-13,32H,6-11H2,(H,29,33,34)
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245384
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H15ClN2O5/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)25-23(21)31)14-9-11(27)5-6-16(14)26(17)8-7-18(28)29/h1-6,9-10,27H,7-8H2,(H,28,29)(H,25,30,31)
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245301
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(3-(phenylamino)pro...)
Show SMILES Oc1ccc2n(CCCNc3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C29H22ClN3O3/c30-22-10-5-4-9-19(22)20-16-24-25(27-26(20)28(35)32-29(27)36)21-15-18(34)11-12-23(21)33(24)14-6-13-31-17-7-2-1-3-8-17/h1-5,7-12,15-16,31,34H,6,13-14H2,(H,32,35,36)
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50245731
PNG
(6-[3-(Dimethylamino)propyl]-9-hydroxy-4-phenylpyrr...)
Show SMILES CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C25H23N3O3/c1-27(2)11-6-12-28-19-10-9-16(29)13-18(19)21-20(28)14-17(15-7-4-3-5-8-15)22-23(21)25(31)26-24(22)30/h3-5,7-10,13-14,29H,6,11-12H2,1-2H3,(H,26,30,31)
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n/an/a 5.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245145
PNG
(4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-morpholinopr...)
Show SMILES Oc1ccc2n(CCCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(17.89,-39.21,;19.22,-39.98,;19.22,-41.52,;20.56,-42.29,;21.9,-41.52,;23.38,-41.99,;23.86,-43.45,;22.84,-44.61,;23.33,-46.07,;22.3,-47.22,;20.79,-46.91,;19.77,-48.05,;20.25,-49.52,;21.76,-49.83,;22.79,-48.68,;24.28,-40.73,;25.81,-40.56,;26.43,-39.14,;25.5,-37.9,;25.81,-36.4,;27.22,-35.76,;24.48,-35.64,;23.34,-36.67,;21.83,-36.36,;23.98,-38.07,;23.36,-39.48,;21.89,-39.97,;20.55,-39.21,;27.96,-38.97,;28.87,-40.21,;28.26,-41.62,;30.4,-40.04,;31.02,-38.62,;30.09,-37.38,;28.57,-37.56,;28.55,-36.02,)|
Show InChI InChI=1S/C27H23Cl2N3O4/c28-18-3-1-4-19(29)22(18)17-14-21-23(25-24(17)26(34)30-27(25)35)16-13-15(33)5-6-20(16)32(21)8-2-7-31-9-11-36-12-10-31/h1,3-6,13-14,33H,2,7-12H2,(H,30,34,35)
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n/an/a 5.90E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245387
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES Oc1ccc2n(CCC(=O)NS(=O)(=O)c3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C29H20ClN3O6S/c30-21-9-5-4-8-18(21)19-15-23-25(27-26(19)28(36)31-29(27)37)20-14-16(34)10-11-22(20)33(23)13-12-24(35)32-40(38,39)17-6-2-1-3-7-17/h1-11,14-15,34H,12-13H2,(H,32,35)(H,31,36,37)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50245385
PNG
(3-(4-(2,6-dichlorophenyl)-9-hydroxy-1,3-dioxo-2,3-...)
Show SMILES OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(7.04,-32.43,;8.06,-31.27,;9.57,-31.59,;7.57,-29.81,;8.59,-28.66,;8.11,-27.2,;6.63,-26.73,;5.29,-27.5,;3.95,-26.73,;3.96,-25.18,;2.62,-24.41,;5.29,-24.41,;6.62,-25.18,;8.09,-24.69,;8.71,-23.28,;8.07,-21.88,;6.57,-21.57,;9.21,-20.84,;10.55,-21.6,;11.95,-20.97,;10.24,-23.11,;11.16,-24.35,;10.54,-25.77,;9.01,-25.94,;12.69,-24.18,;13.61,-25.42,;12.99,-26.83,;15.13,-25.24,;15.75,-23.83,;14.82,-22.59,;13.3,-22.77,;13.28,-21.23,)|
Show InChI InChI=1S/C23H14Cl2N2O5/c24-13-2-1-3-14(25)18(13)12-9-16-19(21-20(12)22(31)26-23(21)32)11-8-10(28)4-5-15(11)27(16)7-6-17(29)30/h1-5,8-9,28H,6-7H2,(H,29,30)(H,26,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245459
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-[3-(1H-tetrazol-5-y...)
Show SMILES Oc1ccc2n(CCCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H17ClN6O3/c25-16-5-2-1-4-13(16)14-11-18-20(22-21(14)23(33)26-24(22)34)15-10-12(32)7-8-17(15)31(18)9-3-6-19-27-29-30-28-19/h1-2,4-5,7-8,10-11,32H,3,6,9H2,(H,26,33,34)(H,27,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245523
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50245458
PNG
(4-(4-(2-Chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES OC(=O)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H17ClN2O5/c25-16-5-2-1-4-13(16)14-11-18-20(22-21(14)23(31)26-24(22)32)15-10-12(28)7-8-17(15)27(18)9-3-6-19(29)30/h1-2,4-5,7-8,10-11,28H,3,6,9H2,(H,29,30)(H,26,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Cdc2 Tyr15 phosphorylation in human HT29 cells by western blot


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50245344
PNG
(3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo...)
Show SMILES OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C23H16N2O5/c26-13-6-7-16-15(10-13)19-17(25(16)9-8-18(27)28)11-14(12-4-2-1-3-5-12)20-21(19)23(30)24-22(20)29/h1-7,10-11,26H,8-9H2,(H,27,28)(H,24,29,30)
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50245256
PNG
(9-hydroxy-6-(3-(4-methylpiperazin-1-yl)propyl)-4-p...)
Show SMILES CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4c(cc23)-c2ccccc2)CC1
Show InChI InChI=1S/C28H28N4O3/c1-30-12-14-31(15-13-30)10-5-11-32-22-9-8-19(33)16-21(22)24-23(32)17-20(18-6-3-2-4-7-18)25-26(24)28(35)29-27(25)34/h2-4,6-9,16-17,33H,5,10-15H2,1H3,(H,29,34,35)
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50245622
PNG
(6-(2-(1H-imidazol-1-yl)ethyl)-9-hydroxy-4-phenylpy...)
Show SMILES Oc1ccc2n(CCn3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C25H18N4O3/c30-16-6-7-19-18(12-16)21-20(29(19)11-10-28-9-8-26-14-28)13-17(15-4-2-1-3-5-15)22-23(21)25(32)27-24(22)31/h1-9,12-14,30H,10-11H2,(H,27,31,32)
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n/an/a 2.70E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50245573
PNG
(6-(2-(dimethylamino)ethyl)-9-hydroxy-4-phenylpyrro...)
Show SMILES CN(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C24H21N3O3/c1-26(2)10-11-27-18-9-8-15(28)12-17(18)20-19(27)13-16(14-6-4-3-5-7-14)21-22(20)24(30)25-23(21)29/h3-9,12-13,28H,10-11H2,1-2H3,(H,25,29,30)
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50192400
PNG
(6-butyl-4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]...)
Show SMILES CCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C24H19ClN2O3/c1-2-3-10-27-18-9-8-13(28)11-16(18)20-19(27)12-15(14-6-4-5-7-17(14)25)21-22(20)24(30)26-23(21)29/h4-9,11-12,28H,2-3,10H2,1H3,(H,26,29,30)
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n/an/a 3.50E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1 kinase assessed as GST-Cdc25 phosphorylation by Western blot determination


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50245734
PNG
(9-hydroxy-6-(3-morpholinopropyl)-4-phenylpyrrolo[3...)
Show SMILES Oc1ccc2n(CCCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C27H25N3O4/c31-18-7-8-21-20(15-18)23-22(30(21)10-4-9-29-11-13-34-14-12-29)16-19(17-5-2-1-3-6-17)24-25(23)27(33)28-26(24)32/h1-3,5-8,15-16,31H,4,9-14H2,(H,28,32,33)
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50192371
PNG
(4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C20H11ClN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Eur J Med Chem 43: 1276-96 (2008)


Article DOI: 10.1016/j.ejmech.2007.07.016
BindingDB Entry DOI: 10.7270/Q26M36MC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%