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PubMed code 18191399

Compile data set for download or QSAR
Found 57 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))
BDBM50232242
PNG
(4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...)
Show SMILES CN(C)CCCOc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C25H22ClN3O4/c1-29(2)8-5-9-33-20-12-17-15(11-19(20)30)21-18(27-17)10-14(13-6-3-4-7-16(13)26)22-23(21)25(32)28-24(22)31/h3-4,6-7,10-12,27,30H,5,8-9H2,1-2H3,(H,28,31,32)
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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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50374070
PNG
(CHEMBL271084)
Show SMILES Cn1c2cc(CCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H28ClN3O3/c1-32-22-14-17(8-4-5-11-33-12-6-7-13-33)24(34)16-20(22)25-23(32)15-19(18-9-2-3-10-21(18)30)26-27(25)29(36)31-28(26)35/h2-3,9-10,14-16,34H,4-8,11-13H2,1H3,(H,31,35,36)
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n/an/a 4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50374063
PNG
(CHEMBL270866)
Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)CCCN1CCCC1
Show InChI InChI=1S/C28H26ClN3O4S/c1-31-20-15-23(37(36)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35)
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n/an/a 7n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50374068
PNG
(CHEMBL271071)
Show SMILES Oc1cc2c(cc1OCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Show InChI InChI=1S/C27H24ClN3O4/c28-18-7-2-1-6-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)35-11-5-10-31-8-3-4-9-31/h1-2,6-7,12-14,29,32H,3-5,8-11H2,(H,30,33,34)
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n/an/a 10n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50232232
PNG
(4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...)
Show SMILES CN(C)CCCOc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C26H24ClN3O4/c1-29(2)9-6-10-34-21-13-18-16(12-20(21)31)22-19(30(18)3)11-15(14-7-4-5-8-17(14)27)23-24(22)26(33)28-25(23)32/h4-5,7-8,11-13,31H,6,9-10H2,1-3H3,(H,28,32,33)
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n/an/a 10n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50374069
PNG
(CHEMBL255565)
Show SMILES OCCn1c2cc(CCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C30H30ClN3O4/c31-22-9-2-1-8-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)13-14-35)7-3-4-10-33-11-5-6-12-33/h1-2,8-9,15-17,35-36H,3-7,10-14H2,(H,32,37,38)
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n/an/a 14n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50374067
PNG
(CHEMBL255427)
Show SMILES Cn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O4/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35)
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n/an/a 14n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232227
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...)
Show SMILES OCCn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H28ClN3O6/c30-20-5-2-1-4-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)7-10-34)39-11-3-6-32-8-12-38-13-9-32/h1-2,4-5,14-16,34-35H,3,6-13H2,(H,31,36,37)
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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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50374060
PNG
(CHEMBL272267)
Show SMILES Cn1c2cc(C(=O)NCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H25ClN4O4/c1-32-20-13-18(26(35)30-8-11-33-9-4-5-10-33)22(34)14-17(20)23-21(32)12-16(15-6-2-3-7-19(15)29)24-25(23)28(37)31-27(24)36/h2-3,6-7,12-14,34H,4-5,8-11H2,1H3,(H,30,35)(H,31,36,37)
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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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50374066
PNG
(CHEMBL401776)
Show SMILES CN(C)CCCOc1cc2n(CCO)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C27H26ClN3O5/c1-30(2)8-5-11-36-22-14-19-17(13-21(22)33)23-20(31(19)9-10-32)12-16(15-6-3-4-7-18(15)28)24-25(23)27(35)29-26(24)34/h3-4,6-7,12-14,32-33H,5,8-11H2,1-2H3,(H,29,34,35)
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n/an/a 18n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232235
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...)
Show SMILES OCCn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C30H30ClN3O5/c31-22-7-2-1-6-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)9-12-35)5-3-4-8-33-10-13-39-14-11-33/h1-2,6-7,15-17,35-36H,3-5,8-14H2,(H,32,37,38)
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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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50374064
PNG
(CHEMBL404335)
Show SMILES Cn1c2cc(SCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O3S/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35)
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n/an/a 20n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50232235
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...)
Show SMILES OCCn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C30H30ClN3O5/c31-22-7-2-1-6-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)9-12-35)5-3-4-8-33-10-13-39-14-11-33/h1-2,6-7,15-17,35-36H,3-5,8-14H2,(H,32,37,38)
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n/an/a 22n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50374071
PNG
(CHEMBL272946)
Show SMILES Oc1cc2c(cc1CCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O3/c29-20-9-2-1-8-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)7-3-4-10-32-11-5-6-12-32/h1-2,8-9,13-15,30,33H,3-7,10-12H2,(H,31,34,35)
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n/an/a 22n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50374065
PNG
(CHEMBL270021)
Show SMILES OCCn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H28ClN3O5/c30-20-7-2-1-6-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)11-12-34)38-13-5-10-32-8-3-4-9-32/h1-2,6-7,14-16,34-35H,3-5,8-13H2,(H,31,36,37)
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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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50232232
PNG
(4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...)
Show SMILES CN(C)CCCOc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C26H24ClN3O4/c1-29(2)9-6-10-34-21-13-18-16(12-20(21)31)22-19(30(18)3)11-15(14-7-4-5-8-17(14)27)23-24(22)26(33)28-25(23)32/h4-5,7-8,11-13,31H,6,9-10H2,1-3H3,(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 Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50374069
PNG
(CHEMBL255565)
Show SMILES OCCn1c2cc(CCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C30H30ClN3O4/c31-22-9-2-1-8-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)13-14-35)7-3-4-10-33-11-5-6-12-33/h1-2,8-9,15-17,35-36H,3-7,10-14H2,(H,32,37,38)
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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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232242
PNG
(4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...)
Show SMILES CN(C)CCCOc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C25H22ClN3O4/c1-29(2)8-5-9-33-20-12-17-15(11-19(20)30)21-18(27-17)10-14(13-6-3-4-7-16(13)26)22-23(21)25(32)28-24(22)31/h3-4,6-7,10-12,27,30H,5,8-9H2,1-2H3,(H,28,31,32)
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n/an/a 26n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232233
PNG
(4-(2-chlorophenyl)-9-hydroxy-8-(3-morpholinopropox...)
Show SMILES Oc1cc2c(cc1OCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Show InChI InChI=1S/C27H24ClN3O5/c28-18-5-2-1-4-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)36-9-3-6-31-7-10-35-11-8-31/h1-2,4-5,12-14,29,32H,3,6-11H2,(H,30,33,34)
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n/an/a 26n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50374067
PNG
(CHEMBL255427)
Show SMILES Cn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O4/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35)
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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 Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50374065
PNG
(CHEMBL270021)
Show SMILES OCCn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H28ClN3O5/c30-20-7-2-1-6-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)11-12-34)38-13-5-10-32-8-3-4-9-32/h1-2,6-7,14-16,34-35H,3-5,8-13H2,(H,31,36,37)
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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 Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232237
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-(4-morphol...)
Show SMILES Cn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H28ClN3O4/c1-32-22-14-17(6-4-5-9-33-10-12-37-13-11-33)24(34)16-20(22)25-23(32)15-19(18-7-2-3-8-21(18)30)26-27(25)29(36)31-28(26)35/h2-3,7-8,14-16,34H,4-6,9-13H2,1H3,(H,31,35,36)
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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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50374063
PNG
(CHEMBL270866)
Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)CCCN1CCCC1
Show InChI InChI=1S/C28H26ClN3O4S/c1-31-20-15-23(37(36)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35)
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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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232238
PNG
(4-(2-chlorophenyl)-8-(4-(dimethylamino)butyl)-9-hy...)
Show SMILES CN(C)CCCCc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C27H26ClN3O3/c1-30(2)11-7-6-8-15-12-20-18(14-22(15)32)23-21(31(20)3)13-17(16-9-4-5-10-19(16)28)24-25(23)27(34)29-26(24)33/h4-5,9-10,12-14,32H,6-8,11H2,1-3H3,(H,29,33,34)
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n/an/a 34n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50374068
PNG
(CHEMBL271071)
Show SMILES Oc1cc2c(cc1OCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Show InChI InChI=1S/C27H24ClN3O4/c28-18-7-2-1-6-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)35-11-5-10-31-8-3-4-9-31/h1-2,6-7,12-14,29,32H,3-5,8-11H2,(H,30,33,34)
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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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50374070
PNG
(CHEMBL271084)
Show SMILES Cn1c2cc(CCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H28ClN3O3/c1-32-22-14-17(8-4-5-11-33-12-6-7-13-33)24(34)16-20(22)25-23(32)15-19(18-9-2-3-10-21(18)30)26-27(25)29(36)31-28(26)35/h2-3,9-10,14-16,34H,4-8,11-13H2,1H3,(H,31,35,36)
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n/an/a 36n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232239
PNG
(4-(2-chlorophenyl)-9-hydroxy-8-(4-morpholinobutyl)...)
Show SMILES Oc1cc2c(cc1CCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O4/c29-20-7-2-1-6-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)5-3-4-8-32-9-11-36-12-10-32/h1-2,6-7,13-15,30,33H,3-5,8-12H2,(H,31,34,35)
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n/an/a 37n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50232233
PNG
(4-(2-chlorophenyl)-9-hydroxy-8-(3-morpholinopropox...)
Show SMILES Oc1cc2c(cc1OCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Show InChI InChI=1S/C27H24ClN3O5/c28-18-5-2-1-4-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)36-9-3-6-31-7-10-35-11-8-31/h1-2,4-5,12-14,29,32H,3,6-11H2,(H,30,33,34)
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n/an/a 41n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50374064
PNG
(CHEMBL404335)
Show SMILES Cn1c2cc(SCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O3S/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35)
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n/an/a 44n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50374061
PNG
(CHEMBL402093)
Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H25ClN4O5S/c1-31-19-14-22(38(36,37)29-8-11-32-9-4-5-10-32)21(33)13-17(19)23-20(31)12-16(15-6-2-3-7-18(15)28)24-25(23)27(35)30-26(24)34/h2-3,6-7,12-14,29,33H,4-5,8-11H2,1H3,(H,30,34,35)
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n/an/a 46n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232240
PNG
(4-(2-chlorophenyl)-8-(4-(dimethylamino)butyl)-9-hy...)
Show SMILES CN(C)CCCCc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C26H24ClN3O3/c1-30(2)10-6-5-7-14-11-19-17(13-21(14)31)22-20(28-19)12-16(15-8-3-4-9-18(15)27)23-24(22)26(33)29-25(23)32/h3-4,8-9,11-13,28,31H,5-7,10H2,1-2H3,(H,29,32,33)
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n/an/a 49n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50374071
PNG
(CHEMBL272946)
Show SMILES Oc1cc2c(cc1CCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O3/c29-20-9-2-1-8-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)7-3-4-10-32-11-5-6-12-32/h1-2,8-9,13-15,30,33H,3-7,10-12H2,(H,31,34,35)
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n/an/a 50n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50232240
PNG
(4-(2-chlorophenyl)-8-(4-(dimethylamino)butyl)-9-hy...)
Show SMILES CN(C)CCCCc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C26H24ClN3O3/c1-30(2)10-6-5-7-14-11-19-17(13-21(14)31)22-20(28-19)12-16(15-8-3-4-9-18(15)27)23-24(22)26(33)29-25(23)32/h3-4,8-9,11-13,28,31H,5-7,10H2,1-2H3,(H,29,32,33)
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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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232230
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-(3-morphol...)
Show SMILES Cn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O5/c1-31-20-15-23(37-10-4-7-32-8-11-36-12-9-32)22(33)14-18(20)24-21(31)13-17(16-5-2-3-6-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,5-6,13-15,33H,4,7-12H2,1H3,(H,30,34,35)
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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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50374061
PNG
(CHEMBL402093)
Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)NCCN1CCCC1
Show InChI InChI=1S/C27H25ClN4O5S/c1-31-19-14-22(38(36,37)29-8-11-32-9-4-5-10-32)21(33)13-17(19)23-20(31)12-16(15-6-2-3-7-18(15)28)24-25(23)27(35)30-26(24)34/h2-3,6-7,12-14,29,33H,4-5,8-11H2,1H3,(H,30,34,35)
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n/an/a 57n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232232
PNG
(4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...)
Show SMILES CN(C)CCCOc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C26H24ClN3O4/c1-29(2)9-6-10-34-21-13-18-16(12-20(21)31)22-19(30(18)3)11-15(14-7-4-5-8-17(14)27)23-24(22)26(33)28-25(23)32/h4-5,7-8,11-13,31H,6,9-10H2,1-3H3,(H,28,32,33)
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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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50374065
PNG
(CHEMBL270021)
Show SMILES OCCn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H28ClN3O5/c30-20-7-2-1-6-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)11-12-34)38-13-5-10-32-8-3-4-9-32/h1-2,6-7,14-16,34-35H,3-5,8-13H2,(H,31,36,37)
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n/an/a 63n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50232239
PNG
(4-(2-chlorophenyl)-9-hydroxy-8-(4-morpholinobutyl)...)
Show SMILES Oc1cc2c(cc1CCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O4/c29-20-7-2-1-6-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)5-3-4-8-32-9-11-36-12-10-32/h1-2,6-7,13-15,30,33H,3-5,8-12H2,(H,31,34,35)
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n/an/a 71n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50232237
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-(4-morphol...)
Show SMILES Cn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H28ClN3O4/c1-32-22-14-17(6-4-5-9-33-10-12-37-13-11-33)24(34)16-20(22)25-23(32)15-19(18-7-2-3-8-21(18)30)26-27(25)29(36)31-28(26)35/h2-3,7-8,14-16,34H,4-6,9-13H2,1H3,(H,31,35,36)
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n/an/a 74n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50374067
PNG
(CHEMBL255427)
Show SMILES Cn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O4/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35)
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n/an/a 75n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50232238
PNG
(4-(2-chlorophenyl)-8-(4-(dimethylamino)butyl)-9-hy...)
Show SMILES CN(C)CCCCc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C27H26ClN3O3/c1-30(2)11-7-6-8-15-12-20-18(14-22(15)32)23-21(31(20)3)13-17(16-9-4-5-10-19(16)28)24-25(23)27(34)29-26(24)33/h4-5,9-10,12-14,32H,6-8,11H2,1-3H3,(H,29,33,34)
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n/an/a 102n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50374066
PNG
(CHEMBL401776)
Show SMILES CN(C)CCCOc1cc2n(CCO)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C27H26ClN3O5/c1-30(2)8-5-11-36-22-14-19-17(13-21(22)33)23-20(31(19)9-10-32)12-16(15-6-3-4-7-18(15)28)24-25(23)27(35)29-26(24)34/h3-4,6-7,12-14,32-33H,5,8-11H2,1-2H3,(H,29,34,35)
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n/an/a 134n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50374062
PNG
(CHEMBL257857)
Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)CCCN1CCCC1
Show InChI InChI=1S/C28H26ClN3O5S/c1-31-20-15-23(38(36,37)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35)
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n/an/a 160n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
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


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50374071
PNG
(CHEMBL272946)
Show SMILES Oc1cc2c(cc1CCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O3/c29-20-9-2-1-8-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)7-3-4-10-32-11-5-6-12-32/h1-2,8-9,13-15,30,33H,3-7,10-12H2,(H,31,34,35)
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n/an/a 200n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50374062
PNG
(CHEMBL257857)
Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)CCCN1CCCC1
Show InChI InChI=1S/C28H26ClN3O5S/c1-31-20-15-23(38(36,37)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35)
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n/an/a 240n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50374060
PNG
(CHEMBL272267)
Show SMILES Cn1c2cc(C(=O)NCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H25ClN4O4/c1-32-20-13-18(26(35)30-8-11-33-9-4-5-10-33)22(34)14-17(20)23-21(32)12-16(15-6-2-3-7-19(15)29)24-25(23)28(37)31-27(24)36/h2-3,6-7,12-14,34H,4-5,8-11H2,1H3,(H,30,35)(H,31,36,37)
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n/an/a 242n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50374066
PNG
(CHEMBL401776)
Show SMILES CN(C)CCCOc1cc2n(CCO)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C27H26ClN3O5/c1-30(2)8-5-11-36-22-14-19-17(13-21(22)33)23-20(31(19)9-10-32)12-16(15-6-3-4-7-18(15)28)24-25(23)27(35)29-26(24)34/h3-4,6-7,12-14,32-33H,5,8-11H2,1-2H3,(H,29,34,35)
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n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50232240
PNG
(4-(2-chlorophenyl)-8-(4-(dimethylamino)butyl)-9-hy...)
Show SMILES CN(C)CCCCc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C26H24ClN3O3/c1-30(2)10-6-5-7-14-11-19-17(13-21(14)31)22-20(28-19)12-16(15-8-3-4-9-18(15)27)23-24(22)26(33)29-25(23)32/h3-4,8-9,11-13,28,31H,5-7,10H2,1-2H3,(H,29,32,33)
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n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50232227
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...)
Show SMILES OCCn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H28ClN3O6/c30-20-5-2-1-4-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)7-10-34)39-11-3-6-32-8-12-38-13-9-32/h1-2,4-5,14-16,34-35H,3,6-13H2,(H,31,36,37)
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n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50232239
PNG
(4-(2-chlorophenyl)-9-hydroxy-8-(4-morpholinobutyl)...)
Show SMILES Oc1cc2c(cc1CCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O4/c29-20-7-2-1-6-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)5-3-4-8-32-9-11-36-12-10-32/h1-2,6-7,13-15,30,33H,3-5,8-12H2,(H,31,34,35)
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n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
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 human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50232227
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...)
Show SMILES OCCn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H28ClN3O6/c30-20-5-2-1-4-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)7-10-34)39-11-3-6-32-8-12-38-13-9-32/h1-2,4-5,14-16,34-35H,3,6-13H2,(H,31,36,37)
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n/an/a 290n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50232230
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-(3-morphol...)
Show SMILES Cn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O5/c1-31-20-15-23(37-10-4-7-32-8-11-36-12-9-32)22(33)14-18(20)24-21(31)13-17(16-5-2-3-6-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,5-6,13-15,33H,4,7-12H2,1H3,(H,30,34,35)
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n/an/a 374n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 18: 929-33 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.046
BindingDB Entry DOI: 10.7270/Q2ZS2XC3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%