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PubMed code 15780636

Compile data set for download or QSAR
Found 58 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 WEE1


(Homo sapiens (Human))
BDBM3105
PNG
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 72 | 4-(4-...)
Show SMILES Cn1c2nc(Nc3ccc(CCCC(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-9.48,-2.74,;-9.48,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-7.38,-7.93,;-8.15,-9.26,;-7.06,-10.35,;-5.57,-10.75,;-7.83,-11.68,;-6.82,-4.28,;-6.82,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
Show InChI InChI=1S/C24H20Cl2N4O3/c1-30-22-15(12-17(23(30)33)21-18(25)5-3-6-19(21)26)13-27-24(29-22)28-16-10-8-14(9-11-16)4-2-7-20(31)32/h3,5-6,8-13H,2,4,7H2,1H3,(H,31,32)(H,27,28,29)
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n/an/a 32n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164134
PNG
(4-{4-[6-(2,6-Dichloro-4-hydroxy-phenyl)-8-methyl-7...)
Show SMILES Cn1c2nc(Nc3ccc(OCCCC(O)=O)cc3)ncc2cc(-c2c(Cl)cc(O)cc2Cl)c1=O |(3.27,-4.44,;3.27,-2.9,;1.94,-2.12,;.61,-2.9,;-.72,-2.12,;-2.05,-2.92,;-3.38,-2.15,;-3.38,-.61,;-4.71,.16,;-6.06,-.61,;-7.4,.16,;-7.4,1.7,;-8.73,2.47,;-8.73,4.01,;-10.07,4.78,;-10.07,6.32,;-11.37,4.01,;-6.06,-2.15,;-4.71,-2.92,;-.72,-.59,;.61,.18,;1.94,-.59,;3.27,.19,;4.6,-.57,;5.93,.2,;5.93,1.74,;4.56,2.49,;7.24,2.51,;8.59,1.75,;9.92,2.54,;8.59,.23,;7.26,-.57,;7.28,-2.11,;4.62,-2.12,;5.95,-2.87,)|
Show InChI InChI=1S/C24H20Cl2N4O5/c1-30-22-13(9-17(23(30)34)21-18(25)10-15(31)11-19(21)26)12-27-24(29-22)28-14-4-6-16(7-5-14)35-8-2-3-20(32)33/h4-7,9-12,31H,2-3,8H2,1H3,(H,32,33)(H,27,28,29)
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n/an/a 40n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164108
PNG
(4-{4-[6-(2,6-Dichloro-3-hydroxy-phenyl)-8-methyl-7...)
Show SMILES Cn1c2nc(Nc3ccc(OCCCC(O)=O)cc3)ncc2cc(-c2c(Cl)ccc(O)c2Cl)c1=O |(3.36,-4.48,;3.36,-2.95,;2.01,-2.17,;.68,-2.95,;-.65,-2.17,;-1.98,-2.95,;-3.31,-2.19,;-3.31,-.64,;-4.64,.12,;-5.97,-.66,;-7.32,.12,;-7.32,1.65,;-8.67,2.43,;-8.67,3.96,;-9.99,4.74,;-9.99,6.28,;-11.3,3.96,;-5.97,-2.2,;-4.64,-2.96,;-.65,-.63,;.68,.14,;2.01,-.63,;3.34,.16,;4.67,-.61,;6,.16,;7.35,-.61,;7.35,-2.15,;8.68,.16,;8.66,1.72,;7.31,2.47,;7.31,4.01,;6,1.7,;4.65,2.45,;4.7,-2.15,;6.03,-2.92,)|
Show InChI InChI=1S/C24H20Cl2N4O5/c1-30-22-13(11-16(23(30)34)20-17(25)8-9-18(31)21(20)26)12-27-24(29-22)28-14-4-6-15(7-5-14)35-10-2-3-19(32)33/h4-9,11-12,31H,2-3,10H2,1H3,(H,32,33)(H,27,28,29)
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n/an/a 40n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164156
PNG
(6-(2,6-Dichloro-phenyl)-8-methyl-2-{4-[3-(5H-tetra...)
Show SMILES Cn1c2nc(Nc3ccc(CCCC4N=NN=N4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |c:14,16,(3.67,-4.58,;3.67,-3.04,;2.33,-2.27,;.99,-3.04,;-.34,-2.27,;-1.67,-3.06,;-3,-2.29,;-4.33,-3.06,;-5.66,-2.29,;-5.66,-.75,;-7.02,.02,;-7.02,1.56,;-8.35,2.33,;-8.35,3.87,;-7.11,4.78,;-7.58,6.23,;-9.14,6.23,;-9.61,4.76,;-4.33,.02,;-3,-.75,;-.34,-.73,;.99,.04,;2.33,-.73,;3.65,.05,;4.99,-.71,;6.31,.06,;6.31,1.6,;4.95,2.35,;7.63,2.37,;8.97,1.61,;8.98,.09,;7.65,-.71,;7.66,-2.25,;5,-2.26,;6.33,-3.02,)|
Show InChI InChI=1S/C24H20Cl2N8O/c1-34-22-15(12-17(23(34)35)21-18(25)5-3-6-19(21)26)13-27-24(29-22)28-16-10-8-14(9-11-16)4-2-7-20-30-32-33-31-20/h3,5-6,8-13,20H,2,4,7H2,1H3,(H,27,28,29)
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n/an/a 69n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164117
PNG
(6-(2,6-Dichloro-3-hydroxy-phenyl)-8-methyl-2-pheny...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(O)c2Cl)c1=O |(1.11,-3.66,;1.11,-2.13,;-.25,-1.34,;-1.58,-2.13,;-2.91,-1.34,;-4.25,-2.14,;-5.58,-1.36,;-6.91,-2.14,;-8.25,-1.38,;-8.25,.18,;-6.91,.95,;-5.58,.18,;-2.91,.19,;-1.58,.97,;-.25,.19,;1.08,.97,;2.42,.23,;3.75,.98,;5.08,.23,;5.11,-1.32,;6.41,1,;6.41,2.54,;5.06,3.3,;5.06,4.86,;3.75,2.54,;2.39,3.29,;2.44,-1.34,;3.77,-2.09,)|
Show InChI InChI=1S/C20H14Cl2N4O2/c1-26-18-11(10-23-20(25-18)24-12-5-3-2-4-6-12)9-13(19(26)28)16-14(21)7-8-15(27)17(16)22/h2-10,27H,1H3,(H,23,24,25)
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n/an/a 74n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164135
PNG
(6-(2,6-Dichloro-4-hydroxy-phenyl)-2-[4-(2-diethyla...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cc(O)cc4Cl)c(=O)n(C)c3n2)cc1 |(-7.32,6.13,;-7.32,4.59,;-8.65,3.8,;-9.98,4.59,;-9.98,6.11,;-8.63,2.26,;-7.3,1.51,;-7.3,-.03,;-5.97,-.8,;-4.64,-.02,;-3.29,-.79,;-3.31,-2.33,;-1.95,-3.1,;-.62,-2.33,;-.62,-.78,;.71,-.01,;2.04,-.78,;3.37,,;4.7,-.77,;6.03,.02,;6,1.54,;4.67,2.3,;7.33,2.33,;8.69,1.56,;9.99,2.35,;8.69,.02,;7.36,-.75,;7.36,-2.29,;4.7,-2.31,;6.04,-3.08,;3.37,-3.09,;3.37,-4.63,;2.04,-2.32,;.71,-3.1,;-4.61,-3.11,;-5.94,-2.36,)|
Show InChI InChI=1S/C26H27Cl2N5O3/c1-4-33(5-2)10-11-36-19-8-6-17(7-9-19)30-26-29-15-16-12-20(25(35)32(3)24(16)31-26)23-21(27)13-18(34)14-22(23)28/h6-9,12-15,34H,4-5,10-11H2,1-3H3,(H,29,30,31)
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n/an/a 80n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164160
PNG
(4-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-d...)
Show SMILES Cn1c2nc(Nc3ccc(OCCCC(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.58,-4.36,;3.58,-2.82,;2.22,-2.05,;.89,-2.83,;-.44,-2.06,;-1.77,-2.83,;-3.1,-2.06,;-4.43,-2.85,;-5.76,-2.08,;-5.76,-.54,;-7.11,.23,;-7.11,1.77,;-8.44,2.54,;-8.44,4.08,;-9.79,4.85,;-11.12,4.08,;-9.79,6.39,;-4.43,.25,;-3.1,-.52,;-.44,-.52,;.89,.26,;2.22,-.52,;3.55,.27,;4.88,-.5,;6.21,.28,;7.54,-.49,;7.57,-2.03,;8.87,.3,;8.87,1.84,;7.52,2.59,;6.21,1.81,;4.86,2.57,;4.91,-2.04,;6.24,-2.81,)|
Show InChI InChI=1S/C24H20Cl2N4O4/c1-30-22-14(12-17(23(30)33)21-18(25)4-2-5-19(21)26)13-27-24(29-22)28-15-7-9-16(10-8-15)34-11-3-6-20(31)32/h2,4-5,7-10,12-13H,3,6,11H2,1H3,(H,31,32)(H,27,28,29)
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n/an/a 86n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164139
PNG
(2-Amino-3-{4-[6-(2,6-dichloro-phenyl)-8-methyl-7-o...)
Show SMILES Cn1c2nc(Nc3ccc(CC(N)C(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.13,-4.02,;3.13,-2.5,;1.78,-1.71,;.44,-2.5,;-.9,-1.71,;-2.23,-2.5,;-3.56,-1.73,;-4.89,-2.5,;-6.21,-1.75,;-6.21,-.21,;-7.58,.56,;-7.58,2.1,;-6.22,2.89,;-8.91,2.89,;-10.24,2.1,;-8.91,4.41,;-4.89,.58,;-3.56,-.19,;-.9,-.17,;.44,.6,;1.78,-.17,;3.09,.6,;4.44,-.15,;5.75,.61,;7.1,-.15,;7.1,-1.7,;8.43,.65,;8.41,2.16,;7.08,2.92,;5.75,2.16,;4.39,2.91,;4.44,-1.71,;5.79,-2.46,)|
Show InChI InChI=1S/C23H19Cl2N5O3/c1-30-20-13(10-15(21(30)31)19-16(24)3-2-4-17(19)25)11-27-23(29-20)28-14-7-5-12(6-8-14)9-18(26)22(32)33/h2-8,10-11,18H,9,26H2,1H3,(H,32,33)(H,27,28,29)
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n/an/a 90n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164153
PNG
(4-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-d...)
Show SMILES Cn1c2nc(Nc3ccc(CCCC(=O)OCCN4CCOCC4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(5.37,-6.04,;5.37,-4.51,;4.02,-3.73,;2.69,-4.51,;1.38,-3.76,;.03,-4.53,;-1.3,-3.76,;-2.61,-4.53,;-3.96,-3.76,;-3.96,-2.22,;-5.31,-1.45,;-5.31,.09,;-6.64,.84,;-6.64,2.4,;-5.31,3.17,;-8,3.15,;-8,4.71,;-9.31,5.45,;-9.33,6.99,;-8,7.75,;-8,9.29,;-9.31,10.06,;-10.66,9.29,;-10.66,7.75,;-2.63,-1.45,;-1.28,-2.22,;1.38,-2.2,;2.69,-1.42,;4.02,-2.2,;5.37,-1.42,;6.68,-2.19,;8.03,-1.41,;9.36,-2.17,;9.36,-3.72,;10.67,-1.41,;10.67,.14,;9.33,.9,;8.01,.12,;6.67,.89,;6.7,-3.73,;8.05,-4.5,)|
Show InChI InChI=1S/C30H31Cl2N5O4/c1-36-28-21(18-23(29(36)39)27-24(31)5-3-6-25(27)32)19-33-30(35-28)34-22-10-8-20(9-11-22)4-2-7-26(38)41-17-14-37-12-15-40-16-13-37/h3,5-6,8-11,18-19H,2,4,7,12-17H2,1H3,(H,33,34,35)
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n/an/a 95n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164121
PNG
(2-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-d...)
Show SMILES Cn1c2nc(Nc3ccc(CC(N)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.5,-3.81,;2.5,-2.27,;1.17,-1.5,;-.18,-2.29,;-1.51,-1.52,;-2.84,-2.29,;-4.17,-1.52,;-5.5,-2.29,;-6.83,-1.55,;-6.83,.02,;-8.17,.79,;-8.18,2.33,;-6.84,3.1,;-9.51,3.07,;-5.5,.79,;-4.17,.02,;-1.51,.02,;-.18,.81,;1.17,.04,;2.48,.81,;3.83,.04,;5.14,.83,;5.14,2.36,;3.79,3.12,;6.46,3.14,;7.8,2.37,;7.82,.83,;6.49,.06,;6.49,-1.48,;3.83,-1.5,;5.16,-2.27,)|
Show InChI InChI=1S/C22H17Cl2N5O2/c1-29-20-13(10-15(21(29)31)19-16(23)3-2-4-17(19)24)11-26-22(28-20)27-14-7-5-12(6-8-14)9-18(25)30/h2-8,10-11H,9H2,1H3,(H2,25,30)(H,26,27,28)
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n/an/a 120n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164158
PNG
(4-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-d...)
Show SMILES CN(C)CCOC(=O)CCCc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-11.37,8.52,;-10.07,7.73,;-8.72,8.5,;-10.05,6.22,;-8.72,5.45,;-8.72,3.91,;-7.39,3.14,;-6.04,3.92,;-7.37,1.6,;-6.04,.84,;-6.04,-.7,;-4.69,-1.45,;-4.68,-3.02,;-3.35,-3.76,;-2.03,-3.01,;-.69,-3.76,;.64,-2.99,;.64,-1.45,;1.97,-.66,;3.3,-1.45,;4.63,-.66,;5.96,-1.43,;7.29,-.65,;8.62,-1.41,;8.63,-2.95,;9.95,-.65,;9.95,.9,;8.59,1.66,;7.28,.88,;5.93,1.65,;5.97,-2.99,;7.31,-3.74,;4.64,-3.76,;4.64,-5.3,;3.3,-2.99,;1.97,-3.76,;-2.02,-1.45,;-3.36,-.7,)|
Show InChI InChI=1S/C28H29Cl2N5O3/c1-34(2)14-15-38-24(36)9-4-6-18-10-12-20(13-11-18)32-28-31-17-19-16-21(27(37)35(3)26(19)33-28)25-22(29)7-5-8-23(25)30/h5,7-8,10-13,16-17H,4,6,9,14-15H2,1-3H3,(H,31,32,33)
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n/an/a 124n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164128
PNG
(6-(2,6-Dichloro-3,5-dihydroxy-phenyl)-8-methyl-2-p...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)c(O)cc(O)c2Cl)c1=O |(.83,-3.66,;.83,-2.13,;-.51,-1.34,;-1.84,-2.14,;-3.17,-1.36,;-4.5,-2.15,;-5.86,-1.38,;-5.84,.16,;-7.19,.94,;-8.53,.16,;-8.5,-1.39,;-7.17,-2.15,;-3.17,.18,;-1.84,.96,;-.51,.19,;.82,.96,;2.16,.2,;3.49,.98,;4.82,.21,;4.82,-1.33,;6.16,.98,;7.49,.23,;6.16,2.53,;4.8,3.3,;4.78,4.84,;3.47,2.52,;2.13,3.27,;2.16,-1.34,;3.52,-2.11,)|
Show InChI InChI=1S/C20H14Cl2N4O3/c1-26-18-10(9-23-20(25-18)24-11-5-3-2-4-6-11)7-12(19(26)29)15-16(21)13(27)8-14(28)17(15)22/h2-9,27-28H,1H3,(H,23,24,25)
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n/an/a 140n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164130
PNG
(4-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-d...)
Show SMILES Cn1c2nc(Nc3ccc(CCCC(=O)OCCN4CCCCC4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(5.37,-6.05,;5.37,-4.51,;4.04,-3.74,;2.69,-4.51,;1.36,-3.74,;.03,-4.53,;-1.3,-3.76,;-2.63,-4.53,;-3.96,-3.76,;-3.96,-2.22,;-5.31,-1.45,;-5.31,.09,;-6.64,.86,;-6.64,2.4,;-5.31,3.17,;-7.97,3.17,;-7.97,4.71,;-9.33,5.45,;-9.33,6.99,;-10.66,7.75,;-10.66,9.29,;-9.33,10.06,;-7.97,9.29,;-8,7.75,;-2.63,-1.45,;-1.3,-2.22,;1.36,-2.2,;2.69,-1.43,;4.04,-2.2,;5.35,-1.42,;6.7,-2.18,;8.01,-1.41,;8.01,.13,;6.66,.88,;9.33,.9,;10.67,.14,;10.69,-1.38,;9.36,-2.18,;9.36,-3.72,;6.7,-3.73,;8.03,-4.49,)|
Show InChI InChI=1S/C31H33Cl2N5O3/c1-37-29-22(19-24(30(37)40)28-25(32)8-6-9-26(28)33)20-34-31(36-29)35-23-13-11-21(12-14-23)7-5-10-27(39)41-18-17-38-15-3-2-4-16-38/h6,8-9,11-14,19-20H,2-5,7,10,15-18H2,1H3,(H,34,35,36)
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n/an/a 142n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164148
PNG
(6-(2,6-Dichloro-3-hydroxy-phenyl)-2-[4-(2-diethyla...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)ccc(O)c4Cl)c(=O)n(C)c3n2)cc1 |(-7.25,6.08,;-7.25,4.54,;-8.58,3.77,;-9.89,4.53,;-9.89,6.07,;-8.56,2.22,;-7.23,1.46,;-7.21,-.08,;-5.9,-.85,;-4.57,-.05,;-3.21,-.84,;-3.22,-2.38,;-1.88,-3.13,;-.55,-2.38,;-.55,-.82,;.78,-.05,;2.12,-.82,;3.44,-.03,;4.77,-.82,;6.1,-.03,;7.43,-.8,;7.43,-2.34,;8.77,-.02,;8.76,1.53,;7.42,2.28,;7.38,3.82,;6.07,1.49,;4.74,2.26,;4.77,-2.34,;6.12,-3.13,;3.44,-3.13,;3.44,-4.67,;2.12,-2.36,;.78,-3.13,;-4.54,-3.16,;-5.87,-2.39,)|
Show InChI InChI=1S/C26H27Cl2N5O3/c1-4-33(5-2)12-13-36-18-8-6-17(7-9-18)30-26-29-15-16-14-19(25(35)32(3)24(16)31-26)22-20(27)10-11-21(34)23(22)28/h6-11,14-15,34H,4-5,12-13H2,1-3H3,(H,29,30,31)
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n/an/a 150n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM3096
PNG
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)
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n/an/a 165n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164109
PNG
(3-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-d...)
Show SMILES Cn1c2nc(Nc3ccc(CCC(N)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.93,-3.94,;2.93,-2.39,;1.57,-1.62,;.24,-2.42,;-1.09,-1.64,;-2.42,-2.42,;-3.76,-1.64,;-5.09,-2.42,;-6.42,-1.67,;-6.42,-.1,;-7.78,.67,;-7.78,2.21,;-9.11,2.96,;-10.44,2.19,;-9.11,4.5,;-5.09,.67,;-3.76,-.1,;-1.09,-.1,;.24,.69,;1.57,-.08,;2.91,.69,;4.24,-.08,;5.57,.72,;5.57,2.24,;4.22,3.01,;6.88,3.03,;8.24,2.26,;8.24,.72,;6.91,-.05,;6.93,-1.6,;4.26,-1.62,;5.6,-2.39,)|
Show InChI InChI=1S/C23H19Cl2N5O2/c1-30-21-14(11-16(22(30)32)20-17(24)3-2-4-18(20)25)12-27-23(29-21)28-15-8-5-13(6-9-15)7-10-19(26)31/h2-6,8-9,11-12H,7,10H2,1H3,(H2,26,31)(H,27,28,29)
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n/an/a 190n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164149
PNG
(6-(2,6-Dichloro-4-hydroxy-phenyl)-8-methyl-2-pheny...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cc(O)cc2Cl)c1=O |(1,-3.6,;1,-2.05,;-.33,-1.29,;-1.67,-2.08,;-3,-1.31,;-4.33,-2.08,;-5.69,-1.31,;-6.99,-2.08,;-8.32,-1.33,;-8.35,.23,;-7,1,;-5.66,.23,;-3,.23,;-1.67,1.02,;-.33,.26,;.99,1.02,;2.33,.27,;3.65,1.05,;3.64,2.58,;2.29,3.33,;4.95,3.36,;6.31,2.58,;7.64,3.38,;6.32,1.05,;4.99,.27,;4.99,-1.27,;2.33,-1.29,;3.67,-2.05,)|
Show InChI InChI=1S/C20H14Cl2N4O2/c1-26-18-11(10-23-20(25-18)24-12-5-3-2-4-6-12)7-14(19(26)28)17-15(21)8-13(27)9-16(17)22/h2-10,27H,1H3,(H,23,24,25)
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n/an/a 220n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164113
PNG
(2-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-d...)
Show SMILES Cn1c2nc(Nc3ccc(OCC(N)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(2.92,-3.94,;2.92,-2.4,;1.59,-1.63,;.24,-2.4,;-1.09,-1.63,;-2.42,-2.41,;-3.75,-1.64,;-5.08,-2.43,;-6.41,-1.66,;-6.41,-.12,;-7.76,.65,;-7.76,2.19,;-9.09,2.96,;-10.42,2.19,;-9.09,4.5,;-5.08,.67,;-3.75,-.1,;-1.09,-.09,;.24,.68,;1.59,-.09,;2.9,.69,;4.25,-.05,;5.56,.7,;5.56,2.24,;4.21,2.99,;6.88,3.01,;8.22,2.26,;8.24,.72,;6.91,-.05,;6.91,-1.61,;4.25,-1.62,;5.58,-2.38,)|
Show InChI InChI=1S/C22H17Cl2N5O3/c1-29-20-12(9-15(21(29)31)19-16(23)3-2-4-17(19)24)10-26-22(28-20)27-13-5-7-14(8-6-13)32-11-18(25)30/h2-10H,11H2,1H3,(H2,25,30)(H,26,27,28)
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n/an/a 250n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164138
PNG
(5-{4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-d...)
Show SMILES Cn1c2nc(Nc3ccc(CCCCC(N)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.58,-4.37,;3.58,-2.83,;2.24,-2.06,;.89,-2.83,;-.44,-2.06,;-1.77,-2.85,;-3.1,-2.08,;-3.1,-.54,;-4.43,.23,;-5.76,-.54,;-7.09,.23,;-7.11,1.77,;-8.44,2.54,;-8.44,4.08,;-9.79,4.85,;-9.45,6.35,;-11.23,4.36,;-5.76,-2.08,;-4.43,-2.85,;-.44,-.52,;.89,.25,;2.24,-.52,;3.55,.26,;4.88,-.5,;6.21,.27,;6.21,1.81,;4.85,2.56,;7.54,2.58,;8.87,1.82,;8.87,.28,;7.56,-.5,;7.57,-2.04,;4.91,-2.05,;6.23,-2.81,)|
Show InChI InChI=1S/C25H23Cl2N5O2/c1-32-23-16(13-18(24(32)34)22-19(26)6-4-7-20(22)27)14-29-25(31-23)30-17-11-9-15(10-12-17)5-2-3-8-21(28)33/h4,6-7,9-14H,2-3,5,8H2,1H3,(H2,28,33)(H,29,30,31)
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n/an/a 260n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164161
PNG
(6-(2,6-Dibromo-phenyl)-8-methyl-2-phenylamino-8H-p...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Br)cccc2Br)c1=O |(1.29,-3.48,;1.29,-1.94,;-.06,-1.17,;-1.39,-1.94,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-2.72,.37,;-1.39,1.14,;-.06,.37,;1.27,1.16,;2.61,.39,;3.93,1.16,;5.26,.4,;5.28,-1.15,;6.59,1.18,;6.59,2.72,;5.23,3.48,;3.93,2.7,;2.57,3.45,;2.62,-1.15,;3.95,-1.92,)|
Show InChI InChI=1S/C20H14Br2N4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22/h2-11H,1H3,(H,23,24,25)
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n/an/a 410n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164126
PNG
(6-(2-Chloro-phenyl)-5,8-dimethyl-2-phenylamino-8H-...)
Show SMILES Cc1c(-c2ccccc2Cl)c(=O)n(C)c2nc(Nc3ccccc3)ncc12 |(1.41,2.56,;1.42,1.02,;2.76,.25,;4.08,1.03,;5.42,.26,;6.75,1.04,;6.75,2.58,;5.4,3.33,;4.07,2.56,;2.73,3.21,;2.76,-1.29,;4.09,-2.06,;1.43,-2.08,;1.43,-3.62,;.1,-1.31,;-1.24,-2.08,;-2.57,-1.31,;-3.89,-2.08,;-5.24,-1.31,;-6.56,-2.1,;-7.88,-1.34,;-7.9,.21,;-6.57,1,;-5.23,.23,;-2.57,.23,;-1.24,1,;.1,.23,)|
Show InChI InChI=1S/C21H17ClN4O/c1-13-16-12-23-21(24-14-8-4-3-5-9-14)25-19(16)26(2)20(27)18(13)15-10-6-7-11-17(15)22/h3-12H,1-2H3,(H,23,24,25)
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n/an/a 410n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164143
PNG
(2-[4-(2-Diethylamino-ethoxy)-phenylamino]-6-(2,6-d...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3c(C)c(-c4c(C)cccc4C)c(=O)n(C)c3n2)cc1 |(-9.79,6.13,;-9.79,4.6,;-8.46,3.83,;-7.13,4.6,;-7.13,6.15,;-8.44,2.28,;-7.11,1.53,;-7.11,-.01,;-5.78,-.78,;-4.45,,;-3.1,-.78,;-3.12,-2.31,;-1.77,-3.08,;-.44,-2.31,;-.44,-.75,;.89,,;2.22,-.75,;3.55,.02,;3.53,1.56,;4.88,-.75,;6.21,.04,;6.19,1.56,;4.85,2.33,;7.52,2.35,;8.87,1.59,;8.87,.04,;7.54,-.75,;7.54,-2.27,;4.88,-2.29,;6.23,-3.06,;3.55,-3.06,;3.55,-4.6,;2.22,-2.31,;.89,-3.08,;-4.43,-3.09,;-5.76,-2.33,)|
Show InChI InChI=1S/C29H35N5O2/c1-7-34(8-2)16-17-36-23-14-12-22(13-15-23)31-29-30-18-24-21(5)26(28(35)33(6)27(24)32-29)25-19(3)10-9-11-20(25)4/h9-15,18H,7-8,16-17H2,1-6H3,(H,30,31,32)
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n/an/a 540n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164123
PNG
(6-(2-Chloro-phenyl)-2-[4-(2-diethylamino-ethoxy)-p...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3c(C)c(-c4ccccc4Cl)c(=O)n(C)c3n2)cc1 |(-10.91,3.89,;-9.58,4.67,;-8.25,3.89,;-6.91,4.67,;-5.57,3.91,;-8.23,2.36,;-6.9,1.6,;-6.9,.06,;-5.57,-.71,;-5.54,-2.27,;-4.21,-3.02,;-2.91,-2.24,;-1.56,-3.02,;-.23,-2.24,;-.23,-.68,;1.1,.09,;2.43,-.68,;3.76,.09,;3.74,1.63,;5.09,-.68,;6.42,.11,;7.75,-.66,;9.08,.12,;9.08,1.65,;7.73,2.42,;6.4,1.63,;5.07,2.28,;5.09,-2.22,;6.45,-2.99,;3.76,-2.99,;3.76,-4.55,;2.43,-2.24,;1.1,-3.02,;-2.89,-.71,;-4.24,.07,)|
Show InChI InChI=1S/C27H30ClN5O2/c1-5-33(6-2)15-16-35-20-13-11-19(12-14-20)30-27-29-17-22-18(3)24(21-9-7-8-10-23(21)28)26(34)32(4)25(22)31-27/h7-14,17H,5-6,15-16H2,1-4H3,(H,29,30,31)
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n/an/a 550n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164111
PNG
(6-(4-Hydroxy-2,6-dimethyl-phenyl)-8-methyl-2-pheny...)
Show SMILES Cc1cc(O)cc(C)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(4.99,-1.27,;4.99,.27,;6.32,1.05,;6.31,2.58,;7.64,3.38,;4.95,3.36,;3.64,2.58,;2.29,3.33,;3.65,1.05,;2.33,.27,;.99,1.02,;-.33,.26,;-1.67,1.02,;-3,.23,;-3,-1.31,;-4.33,-2.08,;-5.69,-1.31,;-6.99,-2.08,;-8.32,-1.33,;-8.35,.23,;-7,1,;-5.66,.23,;-1.67,-2.08,;-.33,-1.29,;1,-2.05,;1,-3.6,;2.33,-1.29,;3.67,-2.05,)|
Show InChI InChI=1S/C22H20N4O2/c1-13-9-17(27)10-14(2)19(13)18-11-15-12-23-22(24-16-7-5-4-6-8-16)25-20(15)26(3)21(18)28/h4-12,27H,1-3H3,(H,23,24,25)
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n/an/a 580n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164162
PNG
(2-[4-(2-Diethylamino-ethoxy)-phenylamino]-6-(2,6-d...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(C)cccc4C)c(=O)n(C)c3n2)cc1 |(-5.69,4.01,;-7.02,4.78,;-8.35,4.01,;-9.7,4.78,;-11.03,4.01,;-8.35,2.47,;-7.02,1.7,;-7.02,.16,;-5.67,-.61,;-5.66,-2.15,;-4.33,-2.92,;-3.01,-2.13,;-1.67,-2.9,;-.34,-2.13,;-.34,-.59,;.99,.19,;2.32,-.59,;3.65,.2,;4.98,-.57,;6.31,.2,;6.31,1.74,;4.95,2.5,;7.61,2.51,;8.97,1.77,;8.97,.23,;7.64,-.56,;7.65,-2.1,;5,-2.11,;6.33,-2.88,;3.66,-2.9,;3.66,-4.44,;2.32,-2.12,;.99,-2.9,;-3,-.59,;-4.33,.18,)|
Show InChI InChI=1S/C28H33N5O2/c1-6-33(7-2)15-16-35-23-13-11-22(12-14-23)30-28-29-18-21-17-24(27(34)32(5)26(21)31-28)25-19(3)9-8-10-20(25)4/h8-14,17-18H,6-7,15-16H2,1-5H3,(H,29,30,31)
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n/an/a 990n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164136
PNG
(6-(2,6-Dimethyl-phenyl)-8-methyl-2-phenylamino-8H-...)
Show SMILES Cc1cccc(C)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(5.28,-1.15,;5.26,.4,;6.59,1.18,;6.59,2.72,;5.23,3.48,;3.93,2.7,;2.57,3.45,;3.93,1.16,;2.61,.39,;1.27,1.16,;-.06,.37,;-1.39,1.14,;-2.72,.37,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-1.39,-1.94,;-.06,-1.17,;1.29,-1.94,;1.29,-3.48,;2.62,-1.15,;3.95,-1.92,)|
Show InChI InChI=1S/C22H20N4O/c1-14-8-7-9-15(2)19(14)18-12-16-13-23-22(24-17-10-5-4-6-11-17)25-20(16)26(3)21(18)27/h4-13H,1-3H3,(H,23,24,25)
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n/an/a 990n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164141
PNG
(6-(3,5-Dihydroxy-2,6-dimethyl-phenyl)-8-methyl-2-p...)
Show SMILES Cc1c(O)cc(O)c(C)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(2.13,3.27,;3.47,2.52,;4.8,3.3,;4.78,4.84,;6.16,2.53,;6.16,.98,;7.49,.23,;4.82,.21,;4.82,-1.33,;3.49,.98,;2.16,.2,;.82,.96,;-.51,.19,;-1.84,.96,;-3.17,.18,;-3.17,-1.36,;-4.5,-2.15,;-5.86,-1.38,;-5.84,.16,;-7.19,.94,;-8.53,.16,;-8.5,-1.39,;-7.17,-2.15,;-1.84,-2.14,;-.51,-1.34,;.83,-2.13,;.83,-3.66,;2.16,-1.34,;3.52,-2.11,)|
Show InChI InChI=1S/C22H20N4O3/c1-12-17(27)10-18(28)13(2)19(12)16-9-14-11-23-22(24-15-7-5-4-6-8-15)25-20(14)26(3)21(16)29/h4-11,27-28H,1-3H3,(H,23,24,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164152
PNG
(6-(2,6-Dimethyl-phenyl)-5,8-dimethyl-2-phenylamino...)
Show SMILES Cc1cccc(C)c1-c1c(C)c2cnc(Nc3ccccc3)nc2n(C)c1=O |(5.23,-1.24,;5.23,.3,;6.56,1.09,;6.54,2.63,;5.2,3.38,;3.88,2.61,;2.53,3.35,;3.88,1.07,;2.57,.3,;1.22,1.07,;1.22,2.61,;-.09,.27,;-1.42,1.05,;-2.77,.27,;-2.77,-1.27,;-4.1,-2.04,;-5.44,-1.27,;-6.76,-2.06,;-8.09,-1.29,;-8.11,.25,;-6.76,1.04,;-5.41,.27,;-1.42,-2.04,;-.09,-1.27,;1.24,-2.04,;1.24,-3.58,;2.57,-1.24,;3.92,-2.01,)|
Show InChI InChI=1S/C23H22N4O/c1-14-9-8-10-15(2)19(14)20-16(3)18-13-24-23(25-17-11-6-5-7-12-17)26-21(18)27(4)22(20)28/h5-13H,1-4H3,(H,24,25,26)
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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 checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164154
PNG
(6-(2-Chloro-6-hydroxy-phenyl)-8-methyl-2-phenylami...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(O)cccc2Cl)c1=O |(1.29,-3.48,;1.29,-1.94,;-.06,-1.17,;-1.39,-1.94,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-2.72,.37,;-1.39,1.14,;-.06,.37,;1.27,1.16,;2.61,.39,;3.93,1.16,;5.26,.4,;5.28,-1.15,;6.59,1.18,;6.59,2.72,;5.23,3.48,;3.93,2.7,;2.57,3.45,;2.62,-1.15,;3.95,-1.92,)|
Show InChI InChI=1S/C20H15ClN4O2/c1-25-18-12(11-22-20(24-18)23-13-6-3-2-4-7-13)10-14(19(25)27)17-15(21)8-5-9-16(17)26/h2-11,26H,1H3,(H,22,23,24)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164145
PNG
(6-(2-Chloro-6-methyl-phenyl)-8-methyl-2-phenylamin...)
Show SMILES Cc1cccc(Cl)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(5.28,-1.15,;5.26,.4,;6.59,1.18,;6.59,2.72,;5.23,3.48,;3.93,2.7,;2.57,3.45,;3.93,1.16,;2.61,.39,;1.27,1.16,;-.06,.37,;-1.39,1.14,;-2.72,.37,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-1.39,-1.94,;-.06,-1.17,;1.29,-1.94,;1.29,-3.48,;2.62,-1.15,;3.95,-1.92,)|
Show InChI InChI=1S/C21H17ClN4O/c1-13-7-6-10-17(22)18(13)16-11-14-12-23-21(24-15-8-4-3-5-9-15)25-19(14)26(2)20(16)27/h3-12H,1-2H3,(H,23,24,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164124
PNG
(6-(2-Chloro-6-fluoro-phenyl)-8-methyl-2-phenylamin...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(F)cccc2Cl)c1=O |(1.29,-3.48,;1.29,-1.94,;-.06,-1.17,;-1.39,-1.94,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-2.72,.37,;-1.39,1.14,;-.06,.37,;1.27,1.16,;2.61,.39,;3.93,1.16,;5.26,.4,;5.28,-1.15,;6.59,1.18,;6.59,2.72,;5.23,3.48,;3.93,2.7,;2.57,3.45,;2.62,-1.15,;3.95,-1.92,)|
Show InChI InChI=1S/C20H14ClFN4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22/h2-11H,1H3,(H,23,24,25)
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM3071
PNG
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 38 | 2-ani...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.81,-2.74,;-6.81,-4.28,;-8.14,-5.05,;-9.48,-4.29,;-9.48,-2.75,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)|
Show InChI InChI=1S/C20H14Cl2N4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22/h2-11H,1H3,(H,23,24,25)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164122
PNG
(6-(3-Amino-2,6-dichloro-phenyl)-8-methyl-2-phenyla...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(N)c2Cl)c1=O |(1.11,-3.66,;1.11,-2.13,;-.25,-1.34,;-1.58,-2.13,;-2.91,-1.34,;-4.25,-2.14,;-5.58,-1.36,;-6.91,-2.14,;-8.25,-1.38,;-8.25,.18,;-6.91,.95,;-5.58,.18,;-2.91,.19,;-1.58,.97,;-.25,.19,;1.08,.97,;2.42,.23,;3.75,.98,;5.08,.23,;5.11,-1.32,;6.41,1,;6.41,2.54,;5.06,3.3,;5.06,4.86,;3.75,2.54,;2.39,3.29,;2.44,-1.34,;3.77,-2.09,)|
Show InChI InChI=1S/C20H15Cl2N5O/c1-27-18-11(10-24-20(26-18)25-12-5-3-2-4-6-12)9-13(19(27)28)16-14(21)7-8-15(23)17(16)22/h2-10H,23H2,1H3,(H,24,25,26)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164125
PNG
(2,4-Dichloro-3-(8-methyl-7-oxo-2-phenylamino-7,8-d...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(C(O)=O)c2Cl)c1=O |(.77,-4.02,;.77,-2.5,;-.56,-1.71,;-1.91,-2.5,;-3.24,-1.71,;-4.57,-2.5,;-5.9,-1.73,;-7.23,-2.5,;-8.58,-1.75,;-8.58,-.21,;-7.23,.58,;-5.9,-.19,;-3.24,-.17,;-1.91,.6,;-.56,-.17,;.75,.6,;2.08,-.15,;3.41,.61,;4.74,-.15,;4.76,-1.7,;6.07,.62,;6.07,2.16,;4.72,2.92,;4.71,4.47,;3.36,5.23,;6.03,5.27,;3.41,2.16,;2.05,2.91,;2.1,-1.71,;3.43,-2.46,)|
Show InChI InChI=1S/C21H14Cl2N4O3/c1-27-18-11(10-24-21(26-18)25-12-5-3-2-4-6-12)9-14(19(27)28)16-15(22)8-7-13(17(16)23)20(29)30/h2-10H,1H3,(H,29,30)(H,24,25,26)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164155
PNG
(6-(2-Chloro-6-methoxy-phenyl)-8-methyl-2-phenylami...)
Show SMILES COc1cccc(Cl)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(6.38,-1.83,;5.04,-1.08,;5.02,.46,;6.35,1.25,;6.35,2.79,;5,3.55,;3.69,2.77,;2.34,3.52,;3.69,1.24,;2.36,.46,;1.03,1.23,;-.3,.44,;-1.63,1.21,;-2.96,.44,;-2.96,-1.1,;-4.29,-1.87,;-5.62,-1.1,;-5.62,.44,;-6.95,1.21,;-8.28,.41,;-8.28,-1.13,;-6.95,-1.9,;-1.63,-1.87,;-.3,-1.1,;1.06,-1.87,;1.06,-3.41,;2.39,-1.08,;3.72,-1.85,)|
Show InChI InChI=1S/C21H17ClN4O2/c1-26-19-13(12-23-21(25-19)24-14-7-4-3-5-8-14)11-15(20(26)27)18-16(22)9-6-10-17(18)28-2/h3-12H,1-2H3,(H,23,24,25)
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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 checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164115
PNG
(6-(2,6-Dichloro-3-hydroxymethyl-phenyl)-8-methyl-2...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(CO)c2Cl)c1=O |(.89,-3.84,;.89,-2.31,;-.46,-1.53,;-1.8,-2.32,;-3.13,-1.55,;-4.46,-2.32,;-5.79,-1.56,;-5.79,-.02,;-7.12,.75,;-8.47,-.02,;-8.47,-1.57,;-7.12,-2.32,;-3.13,-.01,;-1.8,.79,;-.46,,;.86,.79,;2.2,.02,;3.53,.79,;4.87,.04,;4.88,-1.52,;6.2,.79,;6.19,2.35,;4.84,3.11,;4.83,4.65,;6.15,5.43,;3.53,2.33,;2.17,3.1,;2.22,-1.53,;3.55,-2.3,)|
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(10-24-21(26-19)25-14-5-3-2-4-6-14)9-15(20(27)29)17-16(22)8-7-12(11-28)18(17)23/h2-10,28H,11H2,1H3,(H,24,25,26)
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164146
PNG
(CHEMBL178122 | N-[3,5-Dichloro-4-(8-methyl-7-oxo-2...)
Show SMILES CC(=O)Nc1cc(Cl)c(c(Cl)c1)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(8.22,5.17,;6.89,4.4,;5.56,5.15,;6.91,2.86,;5.58,2.07,;5.58,.53,;4.25,-.24,;4.25,-1.78,;2.92,.53,;2.9,2.05,;1.56,2.82,;4.23,2.84,;1.59,-.26,;.26,.51,;-1.07,-.26,;-2.4,.51,;-3.73,-.29,;-3.73,-1.83,;-5.06,-2.6,;-6.41,-1.83,;-6.39,-.29,;-7.74,.48,;-9.08,-.29,;-9.05,-1.85,;-7.74,-2.6,;-2.4,-2.6,;-1.07,-1.8,;.26,-2.57,;.26,-4.11,;1.59,-1.8,;2.94,-2.57,)|
Show InChI InChI=1S/C22H17Cl2N5O2/c1-12(30)26-15-9-17(23)19(18(24)10-15)16-8-13-11-25-22(27-14-6-4-3-5-7-14)28-20(13)29(2)21(16)31/h3-11H,1-2H3,(H,26,30)(H,25,27,28)
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n/an/a 3.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164159
PNG
(6-(4-Amino-2,6-dichloro-phenyl)-8-methyl-2-phenyla...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cc(N)cc2Cl)c1=O |(1,-3.6,;1,-2.05,;-.33,-1.29,;-1.67,-2.08,;-3,-1.31,;-4.33,-2.08,;-5.69,-1.31,;-6.99,-2.08,;-8.32,-1.33,;-8.35,.23,;-7,1,;-5.66,.23,;-3,.23,;-1.67,1.02,;-.33,.26,;.99,1.02,;2.33,.27,;3.65,1.05,;3.64,2.58,;2.29,3.33,;4.95,3.36,;6.31,2.58,;7.64,3.38,;6.32,1.05,;4.99,.27,;4.99,-1.27,;2.33,-1.29,;3.67,-2.05,)|
Show InChI InChI=1S/C20H15Cl2N5O/c1-27-18-11(10-24-20(26-18)25-13-5-3-2-4-6-13)7-14(19(27)28)17-15(21)8-12(23)9-16(17)22/h2-10H,23H2,1H3,(H,24,25,26)
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n/an/a 3.70E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164120
PNG
(6-(2-Bromo-6-methyl-phenyl)-8-methyl-2-phenylamino...)
Show SMILES Cc1cccc(Br)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(2.57,3.45,;3.93,2.7,;5.23,3.48,;6.59,2.72,;6.59,1.18,;5.26,.4,;5.28,-1.15,;3.93,1.16,;2.61,.39,;1.27,1.16,;-.06,.37,;-1.39,1.14,;-2.72,.37,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-1.39,-1.94,;-.06,-1.17,;1.29,-1.94,;1.29,-3.48,;2.62,-1.15,;3.95,-1.92,)|
Show InChI InChI=1S/C21H17BrN4O/c1-13-7-6-10-17(22)18(13)16-11-14-12-23-21(24-15-8-4-3-5-9-15)25-19(14)26(2)20(16)27/h3-12H,1-2H3,(H,23,24,25)
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164114
PNG
(2,4-Dichloro-3-(8-methyl-7-oxo-2-phenylamino-7,8-d...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(C(N)=O)c2Cl)c1=O |(.77,-4.02,;.77,-2.5,;-.56,-1.71,;-1.91,-2.5,;-3.24,-1.71,;-4.57,-2.5,;-5.9,-1.73,;-7.23,-2.5,;-8.58,-1.75,;-8.58,-.21,;-7.23,.58,;-5.9,-.19,;-3.24,-.17,;-1.91,.6,;-.56,-.17,;.75,.6,;2.08,-.15,;3.41,.61,;4.74,-.15,;4.76,-1.7,;6.07,.62,;6.07,2.16,;4.72,2.92,;4.71,4.47,;6.03,5.27,;3.36,5.23,;3.41,2.16,;2.05,2.91,;2.1,-1.71,;3.43,-2.46,)|
Show InChI InChI=1S/C21H15Cl2N5O2/c1-28-19-11(10-25-21(27-19)26-12-5-3-2-4-6-12)9-14(20(28)30)16-15(22)8-7-13(17(16)23)18(24)29/h2-10H,1H3,(H2,24,29)(H,25,26,27)
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n/an/a 8.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164151
PNG
(8-Methyl-2-phenylamino-6-(2,4,6-trichloro-phenyl)-...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cc(Cl)cc2Cl)c1=O |(1,-3.6,;1,-2.05,;-.33,-1.29,;-1.67,-2.08,;-3,-1.31,;-4.33,-2.08,;-5.69,-1.31,;-6.99,-2.08,;-8.32,-1.33,;-8.35,.23,;-7,1,;-5.66,.23,;-3,.23,;-1.67,1.02,;-.33,.26,;.99,1.02,;2.33,.27,;3.65,1.05,;3.64,2.58,;2.29,3.33,;4.95,3.36,;6.31,2.58,;7.64,3.38,;6.32,1.05,;4.99,.27,;4.99,-1.27,;2.33,-1.29,;3.67,-2.05,)|
Show InChI InChI=1S/C20H13Cl3N4O/c1-27-18-11(10-24-20(26-18)25-13-5-3-2-4-6-13)7-14(19(27)28)17-15(22)8-12(21)9-16(17)23/h2-10H,1H3,(H,24,25,26)
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n/an/a 8.60E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164142
PNG
(6-(2,6-Difluoro-phenyl)-8-methyl-2-phenylamino-8H-...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(F)cccc2F)c1=O |(1.29,-3.48,;1.29,-1.94,;-.06,-1.17,;-1.39,-1.94,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-2.72,.37,;-1.39,1.14,;-.06,.37,;1.27,1.16,;2.61,.39,;3.93,1.16,;5.26,.4,;5.28,-1.15,;6.59,1.18,;6.59,2.72,;5.23,3.48,;3.93,2.7,;2.57,3.45,;2.62,-1.15,;3.95,-1.92,)|
Show InChI InChI=1S/C20H14F2N4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22/h2-11H,1H3,(H,23,24,25)
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n/an/a 9.70E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164144
PNG
(6-(2-Hydroxy-6-methoxy-phenyl)-8-methyl-2-phenylam...)
Show SMILES COc1cccc(O)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(2.48,4.82,;2.5,3.28,;3.83,2.52,;5.14,3.29,;6.49,2.54,;6.49,1,;5.16,.23,;5.19,-1.31,;3.83,.98,;2.5,.21,;1.19,.97,;-.16,.19,;-1.49,.97,;-2.8,.19,;-2.8,-1.35,;-4.15,-2.12,;-5.48,-1.35,;-5.48,.19,;-6.81,.96,;-8.14,.18,;-8.14,-1.38,;-6.81,-2.13,;-1.49,-2.12,;-.16,-1.34,;1.2,-2.12,;1.2,-3.65,;2.53,-1.34,;3.86,-2.1,)|
Show InChI InChI=1S/C21H18N4O3/c1-25-19-13(12-22-21(24-19)23-14-7-4-3-5-8-14)11-15(20(25)27)18-16(26)9-6-10-17(18)28-2/h3-12,26H,1-2H3,(H,22,23,24)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164131
PNG
(6-(2,6-Dihydroxy-phenyl)-8-methyl-2-phenylamino-8H...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(O)cccc2O)c1=O |(1.29,-3.48,;1.29,-1.94,;-.06,-1.17,;-1.39,-1.94,;-2.72,-1.17,;-4.05,-1.94,;-5.38,-1.17,;-5.38,.37,;-6.71,1.14,;-8.04,.34,;-8.03,-1.2,;-6.71,-1.97,;-2.72,.37,;-1.39,1.14,;-.06,.37,;1.27,1.16,;2.61,.39,;3.93,1.16,;3.93,2.7,;2.57,3.45,;5.23,3.48,;6.59,2.72,;6.59,1.18,;5.26,.4,;5.28,-1.15,;2.62,-1.15,;3.95,-1.92,)|
Show InChI InChI=1S/C20H16N4O3/c1-24-18-12(11-21-20(23-18)22-13-6-3-2-4-7-13)10-14(19(24)27)17-15(25)8-5-9-16(17)26/h2-11,25-26H,1H3,(H,21,22,23)
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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 checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164112
PNG
(6-(3-Aminomethyl-2,6-dichloro-phenyl)-8-methyl-2-p...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(CN)c2Cl)c1=O |(.89,-3.84,;.89,-2.31,;-.46,-1.53,;-1.8,-2.32,;-3.13,-1.55,;-4.46,-2.32,;-5.79,-1.56,;-5.79,-.02,;-7.12,.75,;-8.47,-.02,;-8.47,-1.57,;-7.12,-2.32,;-3.13,-.01,;-1.8,.79,;-.46,,;.86,.79,;2.2,.02,;3.53,.79,;4.87,.04,;4.88,-1.52,;6.2,.79,;6.19,2.35,;4.84,3.11,;4.83,4.65,;6.15,5.43,;3.53,2.33,;2.17,3.1,;2.22,-1.53,;3.55,-2.3,)|
Show InChI InChI=1S/C21H17Cl2N5O/c1-28-19-13(11-25-21(27-19)26-14-5-3-2-4-6-14)9-15(20(28)29)17-16(22)8-7-12(10-24)18(17)23/h2-9,11H,10,24H2,1H3,(H,25,26,27)
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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 checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164110
PNG
(6-(3,5-Dimethoxy-2,6-dimethyl-phenyl)-8-methyl-2-p...)
Show SMILES COc1cc(OC)c(C)c(c1C)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(5.67,5.48,;4.32,4.71,;4.36,3.15,;5.7,2.4,;5.7,.86,;7.05,.11,;7.05,-1.45,;4.37,.09,;4.37,-1.45,;3.04,.86,;3.02,2.37,;1.69,3.14,;1.71,.06,;.38,.83,;-.93,.05,;-2.28,.83,;-3.61,.04,;-3.61,-1.5,;-4.94,-2.27,;-6.28,-1.52,;-6.27,.04,;-7.62,.79,;-8.94,.04,;-8.93,-1.52,;-7.6,-2.27,;-2.28,-2.27,;-.93,-1.49,;.4,-2.26,;.4,-3.8,;1.71,-1.49,;3.06,-2.25,)|
Show InChI InChI=1S/C24H24N4O3/c1-14-19(30-4)12-20(31-5)15(2)21(14)18-11-16-13-25-24(26-17-9-7-6-8-10-17)27-22(16)28(3)23(18)29/h6-13H,1-5H3,(H,25,26,27)
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164150
PNG
(6-(2,6-Bis-trifluoromethyl-phenyl)-8-methyl-2-phen...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(cccc2C(F)(F)F)C(F)(F)F)c1=O |(.54,-3.62,;.54,-2.08,;-.79,-1.31,;-2.14,-2.1,;-3.45,-1.34,;-4.78,-2.1,;-6.13,-1.34,;-6.11,.21,;-7.46,.97,;-8.78,.19,;-8.78,-1.35,;-7.44,-2.12,;-3.45,.23,;-2.14,.98,;-.79,.23,;.54,1,;1.87,.23,;3.2,1.02,;4.52,.23,;5.85,1.03,;5.85,2.57,;4.5,3.33,;3.18,2.54,;1.84,3.29,;.5,4.07,;1.07,1.96,;2.61,4.63,;4.53,-1.31,;6.07,-1.31,;4.13,-2.78,;5.62,-2.39,;1.87,-1.31,;3.22,-2.08,)|
Show InChI InChI=1S/C22H14F6N4O/c1-32-18-12(11-29-20(31-18)30-13-6-3-2-4-7-13)10-14(19(32)33)17-15(21(23,24)25)8-5-9-16(17)22(26,27)28/h2-11H,1H3,(H,29,30,31)
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM3096
PNG
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...)
Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)|
Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31)
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of Epidermal growth factor receptor


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164132
PNG
(6-(2,6-Dimethoxy-phenyl)-8-methyl-2-phenylamino-8H...)
Show SMILES COc1cccc(OC)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(6.31,-2.01,;4.95,-1.24,;4.95,.3,;6.28,1.07,;6.28,2.61,;4.92,3.38,;3.62,2.59,;2.27,3.35,;2.25,4.89,;3.62,1.07,;2.29,.28,;.96,1.05,;-.37,.27,;-1.7,1.04,;-3.03,.27,;-3.03,-1.28,;-4.36,-2.05,;-5.71,-1.28,;-5.68,.26,;-7.02,1.03,;-8.37,.25,;-8.35,-1.31,;-7.02,-2.06,;-1.7,-2.05,;-.37,-1.27,;.96,-2.04,;.96,-3.58,;2.31,-1.26,;3.65,-2.03,)|
Show InChI InChI=1S/C22H20N4O3/c1-26-20-14(13-23-22(25-20)24-15-8-5-4-6-9-15)12-16(21(26)27)19-17(28-2)10-7-11-18(19)29-3/h4-13H,1-3H3,(H,23,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164127
PNG
(6-(4-Methoxy-2,6-dimethyl-phenyl)-8-methyl-2-pheny...)
Show SMILES COc1cc(C)c(c(C)c1)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(8.66,2.52,;7.33,3.29,;6,2.5,;6,.96,;4.67,.19,;4.67,-1.35,;3.34,.96,;3.32,2.49,;1.99,3.24,;4.65,3.27,;2.01,.18,;.68,.93,;-.65,.16,;-1.98,.93,;-3.31,.16,;-3.31,-1.38,;-4.64,-2.17,;-5.99,-1.4,;-7.3,-2.17,;-8.63,-1.41,;-8.65,.14,;-7.32,.91,;-5.97,.14,;-1.98,-2.15,;-.65,-1.38,;.68,-2.15,;.68,-3.69,;2.01,-1.38,;3.37,-2.13,)|
Show InChI InChI=1S/C23H22N4O2/c1-14-10-18(29-4)11-15(2)20(14)19-12-16-13-24-23(25-17-8-6-5-7-9-17)26-21(16)27(3)22(19)28/h5-13H,1-4H3,(H,24,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164133
PNG
(6-(2,6-Dichloro-3,5-dimethoxy-phenyl)-8-methyl-2-p...)
Show SMILES COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(5.67,5.48,;4.32,4.71,;4.36,3.15,;5.7,2.4,;5.7,.86,;7.05,.11,;7.05,-1.45,;4.37,.09,;4.37,-1.45,;3.04,.86,;3.02,2.37,;1.69,3.14,;1.71,.06,;.38,.83,;-.93,.05,;-2.28,.83,;-3.61,.04,;-3.61,-1.5,;-4.94,-2.27,;-6.28,-1.52,;-6.27,.04,;-7.62,.79,;-8.95,.04,;-8.93,-1.52,;-7.6,-2.27,;-2.28,-2.27,;-.93,-1.49,;.38,-2.26,;.38,-3.8,;1.71,-1.49,;3.06,-2.25,)|
Show InChI InChI=1S/C22H18Cl2N4O3/c1-28-20-12(11-25-22(27-20)26-13-7-5-4-6-8-13)9-14(21(28)29)17-18(23)15(30-2)10-16(31-3)19(17)24/h4-11H,1-3H3,(H,25,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164147
PNG
(5,8-Dimethyl-6-phenyl-2-phenylamino-8H-pyrido[2,3-...)
Show SMILES Cc1c(-c2ccccc2)c(=O)n(C)c2nc(Nc3ccccc3)ncc12
Show InChI InChI=1S/C21H18N4O/c1-14-17-13-22-21(23-16-11-7-4-8-12-16)24-19(17)25(2)20(26)18(14)15-9-5-3-6-10-15/h3-13H,1-2H3,(H,22,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164116
PNG
(8-Methyl-2-phenylamino-6-(2,3,6-trichloro-phenyl)-...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)ccc(Cl)c2Cl)c1=O |(1.11,-3.66,;1.11,-2.13,;-.23,-1.34,;-1.58,-2.13,;-2.91,-1.34,;-4.25,-2.14,;-5.58,-1.36,;-6.91,-2.14,;-8.25,-1.38,;-8.25,.18,;-6.91,.95,;-5.58,.18,;-2.91,.19,;-1.58,.97,;-.23,.19,;1.08,.97,;2.43,.23,;3.75,.98,;5.1,.23,;5.11,-1.32,;6.43,1,;6.41,2.54,;5.08,3.3,;5.06,4.86,;3.75,2.54,;2.39,3.29,;2.44,-1.34,;3.77,-2.09,)|
Show InChI InChI=1S/C20H13Cl3N4O/c1-27-18-11(10-24-20(26-18)25-12-5-3-2-4-6-12)9-13(19(27)28)16-14(21)7-8-15(22)17(16)23/h2-10H,1H3,(H,24,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164129
PNG
(CHEMBL180740 | N-[2,4-Dichloro-3-(8-methyl-7-oxo-2...)
Show SMILES CC(=O)Nc1ccc(Cl)c(c1Cl)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(7.05,4.29,;5.7,5.06,;5.69,6.6,;4.39,4.27,;4.39,2.73,;5.75,1.96,;5.75,.42,;4.42,-.35,;4.44,-1.89,;3.09,.42,;3.08,1.95,;1.73,2.71,;1.76,-.36,;.43,.4,;-.9,-.37,;-2.23,.4,;-3.56,-.38,;-3.56,-1.92,;-4.89,-2.71,;-6.23,-1.94,;-6.22,-.4,;-7.56,.37,;-8.91,-.4,;-8.88,-1.94,;-7.55,-2.71,;-2.23,-2.69,;-.9,-1.9,;.44,-2.68,;.44,-4.21,;1.77,-1.9,;3.11,-2.67,)|
Show InChI InChI=1S/C22H17Cl2N5O2/c1-12(30)26-17-9-8-16(23)18(19(17)24)15-10-13-11-25-22(27-14-6-4-3-5-7-14)28-20(13)29(2)21(15)31/h3-11H,1-2H3,(H,26,30)(H,25,27,28)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164118
PNG
(6-(2-Chloro-6-trifluoromethyl-phenyl)-8-methyl-2-p...)
Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2C(F)(F)F)c1=O |(.75,-3.34,;.75,-1.8,;-.6,-1.03,;-1.93,-1.82,;-3.26,-1.03,;-4.59,-1.82,;-5.93,-1.03,;-7.25,-1.83,;-8.58,-1.07,;-8.59,.48,;-7.25,1.26,;-5.92,.49,;-3.26,.51,;-1.93,1.28,;-.6,.51,;.73,1.28,;2.06,.51,;3.39,1.3,;3.39,2.82,;2.04,3.59,;4.7,3.61,;6.05,2.85,;6.05,1.31,;4.72,.53,;4.74,-1.01,;6.28,-1.01,;3.65,.09,;4.72,-2.55,;2.08,-1.03,;3.41,-1.78,)|
Show InChI InChI=1S/C21H14ClF3N4O/c1-29-18-12(11-26-20(28-18)27-13-6-3-2-4-7-13)10-14(19(29)30)17-15(21(23,24)25)8-5-9-16(17)22/h2-11H,1H3,(H,26,27,28)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164157
PNG
(6-(2,6-Dichloro-3-methyl-phenyl)-8-methyl-2-phenyl...)
Show SMILES Cc1ccc(Cl)c(c1Cl)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(5.05,4.83,;5.05,3.29,;6.4,2.54,;6.4,1,;5.07,.23,;5.09,-1.33,;3.74,.98,;3.74,2.54,;2.39,3.28,;2.41,.23,;1.08,.97,;-.25,.19,;-1.58,.97,;-2.91,.19,;-2.91,-1.34,;-4.24,-2.13,;-5.57,-1.36,;-6.9,-2.13,;-8.23,-1.38,;-8.23,.16,;-6.9,.95,;-5.57,.18,;-1.58,-2.12,;-.25,-1.34,;1.1,-2.12,;1.1,-3.65,;2.43,-1.34,;3.76,-2.08,)|
Show InChI InChI=1S/C21H16Cl2N4O/c1-12-8-9-16(22)17(18(12)23)15-10-13-11-24-21(25-14-6-4-3-5-7-14)26-19(13)27(2)20(15)28/h3-11H,1-2H3,(H,24,25,26)
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164137
PNG
(6-(2,6-Dichloro-4-methoxy-phenyl)-8-methyl-2-pheny...)
Show SMILES COc1cc(Cl)c(c(Cl)c1)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(8.66,2.52,;7.33,3.29,;6,2.5,;4.65,3.27,;3.32,2.49,;1.99,3.24,;3.34,.96,;4.67,.19,;4.67,-1.35,;6,.96,;2.01,.18,;.68,.93,;-.65,.16,;-1.98,.93,;-3.31,.16,;-3.31,-1.38,;-4.64,-2.17,;-5.99,-1.4,;-7.3,-2.17,;-8.63,-1.41,;-8.65,.14,;-7.32,.91,;-5.97,.14,;-1.98,-2.15,;-.65,-1.38,;.68,-2.15,;.68,-3.69,;2.01,-1.38,;3.37,-2.13,)|
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-12(11-24-21(26-19)25-13-6-4-3-5-7-13)8-15(20(27)28)18-16(22)9-14(29-2)10-17(18)23/h3-11H,1-2H3,(H,24,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50164119
PNG
(6-(2,6-Dichloro-3-methoxy-phenyl)-8-methyl-2-pheny...)
Show SMILES COc1ccc(Cl)c(c1Cl)-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O |(6.15,5.44,;4.83,4.64,;4.84,3.1,;6.19,2.35,;6.19,.81,;4.86,.02,;4.88,-1.52,;3.53,.79,;3.52,2.33,;2.18,3.08,;2.2,.02,;.87,.79,;-.46,,;-1.79,.77,;-3.12,,;-3.12,-1.54,;-4.45,-2.32,;-5.79,-1.56,;-7.11,-2.33,;-8.44,-1.56,;-8.46,-.03,;-7.12,.75,;-5.78,-.01,;-1.79,-2.31,;-.46,-1.54,;.89,-2.31,;.89,-3.85,;2.22,-1.52,;3.56,-2.29,)|
Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-12(11-24-21(26-19)25-13-6-4-3-5-7-13)10-14(20(27)28)17-15(22)8-9-16(29-2)18(17)23/h3-11H,1-2H3,(H,24,25,26)
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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 checkpoint kinase Wee1


Bioorg Med Chem Lett 15: 1931-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.079
BindingDB Entry DOI: 10.7270/Q280524M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%