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Compile Data Set for Download or QSAR

Found 1167 hits Enz. Inhib. hit(s) with Target = 'Wee1-like protein kinase'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522506
PNG
(CHEMBL4562919)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(CC(C)(C)O)cc(-c2c(Cl)cccc2Cl)c3=O)cc1
Show InChI InChI=1S/C28H30Cl2N6O2/c1-28(2,38)17-36-16-21(24-22(29)5-4-6-23(24)30)25(37)20-15-31-27(33-26(20)36)32-18-7-9-19(10-8-18)35-13-11-34(3)12-14-35/h4-10,15-16,38H,11-14,17H2,1-3H3,(H,31,32,33)
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0.200n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522503
PNG
(CHEMBL4454675)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n(cc(-c3c(Cl)cccc3Cl)c4=O)C3CC3)ccc2C2(CC2)C1
Show InChI InChI=1S/C28H25Cl2N5O/c1-34-13-16-11-17(5-8-21(16)28(15-34)9-10-28)32-27-31-12-19-25(36)20(24-22(29)3-2-4-23(24)30)14-35(18-6-7-18)26(19)33-27/h2-5,8,11-12,14,18H,6-7,9-10,13,15H2,1H3,(H,31,32,33)
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0.200n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522508
PNG
(CHEMBL4441166)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n(C)cc(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C26H23Cl2N5O/c1-32-12-15-10-16(6-7-19(15)26(14-32)8-9-26)30-25-29-11-17-23(34)18(13-33(2)24(17)31-25)22-20(27)4-3-5-21(22)28/h3-7,10-11,13H,8-9,12,14H2,1-2H3,(H,29,30,31)
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0.200n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522512
PNG
(CHEMBL4544916)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)-c2ccccc2)cc1
Show InChI InChI=1S/C30H26Cl2N6O/c1-36-14-16-37(17-15-36)21-12-10-20(11-13-21)34-30-33-18-23-28(39)24(27-25(31)8-5-9-26(27)32)19-38(29(23)35-30)22-6-3-2-4-7-22/h2-13,18-19H,14-17H2,1H3,(H,33,34,35)
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0.200n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522514
PNG
(CHEMBL4554796)
Show SMILES CCn1cc(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc4c(CN(C)CC44CC4)c3)nc12
Show InChI InChI=1S/C27H25Cl2N5O/c1-3-34-14-19(23-21(28)5-4-6-22(23)29)24(35)18-12-30-26(32-25(18)34)31-17-7-8-20-16(11-17)13-33(2)15-27(20)9-10-27/h4-8,11-12,14H,3,9-10,13,15H2,1-2H3,(H,30,31,32)
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0.300n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522509
PNG
(CHEMBL4444364)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)c(C=C)cn(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C27H23Cl2N5O/c1-3-16-14-34(24-21(28)5-4-6-22(24)29)25(35)19-12-30-26(32-23(16)19)31-18-7-8-20-17(11-18)13-33(2)15-27(20)9-10-27/h3-8,11-12,14H,1,9-10,13,15H2,2H3,(H,30,31,32)
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0.300n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522502
PNG
(CHEMBL4529353)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)c(CO)cn(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C26H23Cl2N5O2/c1-32-11-15-9-17(5-6-19(15)26(14-32)7-8-26)30-25-29-10-18-22(31-25)16(13-34)12-33(24(18)35)23-20(27)3-2-4-21(23)28/h2-6,9-10,12,34H,7-8,11,13-14H2,1H3,(H,29,30,31)
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0.300n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522511
PNG
(CHEMBL4443172)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C)cc(-c2c(Cl)cccc2Cl)c3=O)cc1
Show InChI InChI=1S/C25H24Cl2N6O/c1-31-10-12-33(13-11-31)17-8-6-16(7-9-17)29-25-28-14-18-23(34)19(15-32(2)24(18)30-25)22-20(26)4-3-5-21(22)27/h3-9,14-15H,10-13H2,1-2H3,(H,28,29,30)
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0.300n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522513
PNG
(CHEMBL4526423)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)c(C)cn(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C26H23Cl2N5O/c1-15-12-33(23-20(27)4-3-5-21(23)28)24(34)18-11-29-25(31-22(15)18)30-17-6-7-19-16(10-17)13-32(2)14-26(19)8-9-26/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,29,30,31)
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0.5n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522507
PNG
(CHEMBL4470852)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)[nH]cc(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C25H21Cl2N5O/c1-32-12-14-9-15(5-6-18(14)25(13-32)7-8-25)30-24-29-11-17-22(33)16(10-28-23(17)31-24)21-19(26)3-2-4-20(21)27/h2-6,9-11H,7-8,12-13H2,1H3,(H2,28,29,30,31,33)
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0.600n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522510
PNG
(CHEMBL4447769)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)c(cn(-c3c(Cl)cccc3Cl)c4=O)C(F)F)ccc2C2(CC2)C1
Show InChI InChI=1S/C26H21Cl2F2N5O/c1-34-11-14-9-15(5-6-18(14)26(13-34)7-8-26)32-25-31-10-16-21(33-25)17(23(29)30)12-35(24(16)36)22-19(27)3-2-4-20(22)28/h2-6,9-10,12,23H,7-8,11,13H2,1H3,(H,31,32,33)
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0.600n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043652
PNG
(CHEMBL3355537)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C26H21ClFN7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32)
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<1n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522504
PNG
(CHEMBL4551299)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)C2CC2)cc1
Show InChI InChI=1S/C27H26Cl2N6O/c1-33-11-13-34(14-12-33)18-7-5-17(6-8-18)31-27-30-15-20-25(36)21(24-22(28)3-2-4-23(24)29)16-35(19-9-10-19)26(20)32-27/h2-8,15-16,19H,9-14H2,1H3,(H,30,31,32)
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1n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043654
PNG
(CHEMBL3355539)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C(C)(C)C1
Show InChI InChI=1S/C26H23ClFN7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32)
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<1n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043653
PNG
(CHEMBL3355538)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C(C)(C)C1
Show InChI InChI=1S/C26H23Cl2N7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32)
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<1n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043651
PNG
(CHEMBL3355536)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C26H21Cl2N7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32)
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<1n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043649
PNG
(CHEMBL3355534)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(Cl)cccc2Cl)c3=O)cc1
Show InChI InChI=1S/C25H22Cl2N8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(H,29,30,31)
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<1n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043648
PNG
(CHEMBL3355533)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C(C)(C)C1
Show InChI InChI=1S/C26H24ClN7O/c1-26(2)15-32(3)14-16-12-17(8-9-19(16)26)30-24-29-13-18-22(31-24)33-11-10-28-25(33)34(23(18)35)21-7-5-4-6-20(21)27/h4-13H,14-15H2,1-3H3,(H,29,30,31)
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<1n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043654
PNG
(CHEMBL3355539)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C(C)(C)C1
Show InChI InChI=1S/C26H23ClFN7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32)
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1.10n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043646
PNG
(CHEMBL3355531)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C26H22ClN7O/c1-32-14-16-12-17(6-7-19(16)26(15-32)8-9-26)30-24-29-13-18-22(31-24)33-11-10-28-25(33)34(23(18)35)21-5-3-2-4-20(21)27/h2-7,10-13H,8-9,14-15H2,1H3,(H,29,30,31)
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1.20n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522505
PNG
(CHEMBL4469678)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)C2COC2)cc1
Show InChI InChI=1S/C27H26Cl2N6O2/c1-33-9-11-34(12-10-33)18-7-5-17(6-8-18)31-27-30-13-20-25(36)21(24-22(28)3-2-4-23(24)29)14-35(26(20)32-27)19-15-37-16-19/h2-8,13-14,19H,9-12,15-16H2,1H3,(H,30,31,32)
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1.30n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043643
PNG
(CHEMBL3355528)
Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc2C1
Show InChI InChI=1S/C24H20ClN7O/c1-30-10-8-15-6-7-17(12-16(15)14-30)28-23-27-13-18-21(29-23)31-11-9-26-24(31)32(22(18)33)20-5-3-2-4-19(20)25/h2-7,9,11-13H,8,10,14H2,1H3,(H,27,28,29)
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1.60n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043650
PNG
(CHEMBL3355535)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(F)cccc2Cl)c3=O)cc1
Show InChI InChI=1S/C25H22ClFN8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(H,29,30,31)
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2n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043633
PNG
(CHEMBL3355518)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1
Show InChI InChI=1S/C25H23ClN8O/c1-31-12-14-32(15-13-31)18-8-6-17(7-9-18)29-24-28-16-19-22(30-24)33-11-10-27-25(33)34(23(19)35)21-5-3-2-4-20(21)26/h2-11,16H,12-15H2,1H3,(H,28,29,30)
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2.30n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043647
PNG
(CHEMBL3355532)
Show SMILES CC(=O)N1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C27H22ClN7O2/c1-16(36)33-14-17-12-18(6-7-20(17)27(15-33)8-9-27)31-25-30-13-19-23(32-25)34-11-10-29-26(34)35(24(19)37)22-5-3-2-4-21(22)28/h2-7,10-13H,8-9,14-15H2,1H3,(H,30,31,32)
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5.40n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043637
PNG
(CHEMBL3355522)
Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2c1=O
Show InChI InChI=1S/C25H22ClN7O/c26-20-6-2-3-7-21(20)33-23(34)19-16-28-24(30-22(19)32-15-12-27-25(32)33)29-17-8-10-18(11-9-17)31-13-4-1-5-14-31/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,28,29,30)
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5.5n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043640
PNG
(CHEMBL3355525)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)c1
Show InChI InChI=1S/C25H23ClN8O/c1-31-11-13-32(14-12-31)18-6-4-5-17(15-18)29-24-28-16-19-22(30-24)33-10-9-27-25(33)34(23(19)35)21-8-3-2-7-20(21)26/h2-10,15-16H,11-14H2,1H3,(H,28,29,30)
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6.20n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043639
PNG
(CHEMBL3355524)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1
Show InChI InChI=1S/C26H23ClN8O2/c1-17(36)32-12-14-33(15-13-32)19-8-6-18(7-9-19)30-25-29-16-20-23(31-25)34-11-10-28-26(34)35(24(20)37)22-5-3-2-4-21(22)27/h2-11,16H,12-15H2,1H3,(H,29,30,31)
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6.60n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043645
PNG
(CHEMBL3355530)
Show SMILES CN1CCCc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc12
Show InChI InChI=1S/C24H20ClN7O/c1-30-11-4-5-15-13-16(8-9-19(15)30)28-23-27-14-17-21(29-23)31-12-10-26-24(31)32(22(17)33)20-7-3-2-6-18(20)25/h2-3,6-10,12-14H,4-5,11H2,1H3,(H,27,28,29)
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7.40n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043638
PNG
(CHEMBL3355523)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1
Show InChI InChI=1S/C26H24ClN7O/c1-32-13-10-18(11-14-32)17-6-8-19(9-7-17)30-25-29-16-20-23(31-25)33-15-12-28-26(33)34(24(20)35)22-5-3-2-4-21(22)27/h2-9,12,15-16,18H,10-11,13-14H2,1H3,(H,29,30,31)
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8.30n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043644
PNG
(CHEMBL3355529)
Show SMILES CN1CCCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc12
Show InChI InChI=1S/C24H20ClN7O/c1-30-11-4-5-15-8-9-16(13-20(15)30)28-23-27-14-17-21(29-23)31-12-10-26-24(31)32(22(17)33)19-7-3-2-6-18(19)25/h2-3,6-10,12-14H,4-5,11H2,1H3,(H,27,28,29)
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8.60n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043634
PNG
(CHEMBL3355519)
Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccccc3)ncc2c1=O
Show InChI InChI=1S/C20H13ClN6O/c21-15-8-4-5-9-16(15)27-18(28)14-12-23-19(24-13-6-2-1-3-7-13)25-17(14)26-11-10-22-20(26)27/h1-12H,(H,23,24,25)
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21n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50522501
PNG
(CHEMBL4450036)
Show SMILES CN(C)CCn1cc(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12
Show InChI InChI=1S/C28H31Cl2N7O/c1-34(2)11-14-37-18-22(25-23(29)5-4-6-24(25)30)26(38)21-17-31-28(33-27(21)37)32-19-7-9-20(10-8-19)36-15-12-35(3)13-16-36/h4-10,17-18H,11-16H2,1-3H3,(H,31,32,33)
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24n/an/an/an/an/an/an/an/a



Global Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...


Bioorg Med Chem Lett 29: 1481-1486 (2019)


Article DOI: 10.1016/j.bmcl.2019.04.017
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043642
PNG
(CHEMBL3355527)
Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc4CCCCc4c3)ncc2c1=O
Show InChI InChI=1S/C24H19ClN6O/c25-19-7-3-4-8-20(19)31-22(32)18-14-27-23(29-21(18)30-12-11-26-24(30)31)28-17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-14H,1-2,5-6H2,(H,27,28,29)
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26n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043636
PNG
(CHEMBL3355521)
Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc(cc3)C3CCCCC3)ncc2c1=O
Show InChI InChI=1S/C26H23ClN6O/c27-21-8-4-5-9-22(21)33-24(34)20-16-29-25(31-23(20)32-15-14-28-26(32)33)30-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h4-5,8-17H,1-3,6-7H2,(H,29,30,31)
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87n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043641
PNG
(CHEMBL3355526)
Show SMILES CN1CCN(CC1)c1ccccc1Nc1ncc2c(n1)n1ccnc1n(-c1ccccc1Cl)c2=O
Show InChI InChI=1S/C25H23ClN8O/c1-31-12-14-32(15-13-31)21-9-5-3-7-19(21)29-24-28-16-17-22(30-24)33-11-10-27-25(33)34(23(17)35)20-8-4-2-6-18(20)26/h2-11,16H,12-15H2,1H3,(H,28,29,30)
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>3.14E+3n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50043635
PNG
(CHEMBL3355520)
Show SMILES Clc1ccccc1-n1c2nccn2c2nc(NC3CCCCC3)ncc2c1=O
Show InChI InChI=1S/C20H19ClN6O/c21-15-8-4-5-9-16(15)27-18(28)14-12-23-19(24-13-6-2-1-3-7-13)25-17(14)26-11-10-22-20(26)27/h4-5,8-13H,1-3,6-7H2,(H,23,24,25)
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>3.14E+3n/an/an/an/an/an/an/an/a



AbbVie Inc

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of WEE1


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM50331612
PNG
(CHEMBL1290072 | N-(4-methoxybenzyl)benzofuro[2,3-b...)
Show SMILES COc1ccc(CNc2ccnc3oc4ccccc4c23)cc1
Show InChI InChI=1S/C19H16N2O2/c1-22-14-8-6-13(7-9-14)12-21-16-10-11-20-19-18(16)15-4-2-3-5-17(15)23-19/h2-11H,12H2,1H3,(H,20,21)
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther-University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human WEE1


Bioorg Med Chem Lett 20: 6915-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.004
BindingDB Entry DOI: 10.7270/Q2GF0TQS
More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM462308
PNG
(US10766902, Example 21)
Show SMILES Cc1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)ccc1N1CCOCC1
Show InChI InChI=1S/C26H30N8O3S/c1-5-11-33-25(35)20-17-27-26(28-19-9-10-21(18(2)16-19)32-12-14-37-15-13-32)30-24(20)34(33)23-8-6-7-22(29-23)31-38(3,4)36/h5-10,16-17H,1,11-15H2,2-4H3,(H,27,28,30)
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n/an/a 0.100n/an/an/an/an/an/a



ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...


US Patent US10766902 (2020)

More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM462323
PNG
(US10766902, Example 36)
Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CC4CCC(C3)O4)nc12
Show InChI InChI=1S/C27H30N8O3S/c1-4-14-34-26(36)22-15-28-27(31-25(22)35(34)24-7-5-6-23(30-24)32-39(2,3)37)29-18-8-10-19(11-9-18)33-16-20-12-13-21(17-33)38-20/h4-11,15,20-21H,1,12-14,16-17H2,2-3H3,(H,28,29,31)
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n/an/a 0.100n/an/an/an/an/an/a



ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...


US Patent US10766902 (2020)

More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM462353
PNG
(US10766902, Example 67)
Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3C[C@@H]4COC[C@@H]4C3)nc12
Show InChI InChI=1S/C27H30N8O3S/c1-4-12-34-26(36)22-13-28-27(31-25(22)35(34)24-7-5-6-23(30-24)32-39(2,3)37)29-20-8-10-21(11-9-20)33-14-18-16-38-17-19(18)15-33/h4-11,13,18-19H,1,12,14-17H2,2-3H3,(H,28,29,31)/t18-,19+
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ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...


US Patent US10766902 (2020)

More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM462327
PNG
(US10766902, Example 40)
Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(F)cc3)nc12
Show InChI InChI=1S/C21H20FN7O2S/c1-4-12-28-20(30)16-13-23-21(24-15-10-8-14(22)9-11-15)26-19(16)29(28)18-7-5-6-17(25-18)27-32(2,3)31/h4-11,13H,1,12H2,2-3H3,(H,23,24,26)
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n/an/a 0.200n/an/an/an/an/an/a



ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...


US Patent US10766902 (2020)

More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM462376
PNG
(US10766902, Example 89)
Show SMILES COCCN(C)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C25H30N8O3S/c1-6-14-32-24(34)20-17-26-25(27-18-10-12-19(13-11-18)31(2)15-16-36-3)29-23(20)33(32)22-9-7-8-21(28-22)30-37(4,5)35/h6-13,17H,1,14-16H2,2-5H3,(H,26,27,29)
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ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...


US Patent US10766902 (2020)

More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM462377
PNG
(US10766902, Example 90)
Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3CCC3)nc12
Show InChI InChI=1S/C24H26N8O2S/c1-4-13-31-23(33)19-16-25-24(26-17-9-11-18(12-10-17)30-14-6-15-30)28-22(19)32(31)21-8-5-7-20(27-21)29-35(2,3)34/h4-5,7-12,16H,1,6,13-15H2,2-3H3,(H,25,26,28)
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ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...


US Patent US10766902 (2020)

More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM462343
PNG
(US10766902, Example 57)
Show SMILES CN(C)c1ccc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C23H26N8O2S/c1-6-14-30-22(32)18-15-24-23(25-16-10-12-17(13-11-16)29(2)3)27-21(18)31(30)20-9-7-8-19(26-20)28-34(4,5)33/h6-13,15H,1,14H2,2-5H3,(H,24,25,27)
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ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...


US Patent US10766902 (2020)

More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM462354
PNG
(US10766902, Example 68)
Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(cc3)N3C[C@@H]4C[C@H]3CO4)nc12
Show InChI InChI=1S/C26H28N8O3S/c1-4-12-33-25(35)21-14-27-26(28-17-8-10-18(11-9-17)32-15-20-13-19(32)16-37-20)30-24(21)34(33)23-7-5-6-22(29-23)31-38(2,3)36/h4-11,14,19-20H,1,12-13,15-16H2,2-3H3,(H,27,28,30)/t19-,20-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...


US Patent US10766902 (2020)

More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM462348
PNG
(US10766902, Example 62)
Show SMILES CS(C)(=O)=Nc1cccc(n1)-n1n(CC=C)c(=O)c2cnc(Nc3ccc(Cl)cc3)nc12
Show InChI InChI=1S/C21H20ClN7O2S/c1-4-12-28-20(30)16-13-23-21(24-15-10-8-14(22)9-11-15)26-19(16)29(28)18-7-5-6-17(25-18)27-32(2,3)31/h4-11,13H,1,12H2,2-3H3,(H,23,24,26)
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ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...


US Patent US10766902 (2020)

More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM462360
PNG
(US10766902, Example 74)
Show SMILES COC[C@@H]1CN(CCO1)c1ccc(Nc2ncc3c(n2)n(-c2cncc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cc1
Show InChI InChI=1S/C26H31N9O4S/c1-5-10-34-25(36)21-13-28-26(31-24(21)35(34)23-15-27-14-22(30-23)32-40(3,4)37)29-18-6-8-19(9-7-18)33-11-12-39-20(16-33)17-38-2/h5-9,13-15,20H,1,10-12,16-17H2,2-4H3,(H,28,29,31)/t20-/m0/s1
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ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...


US Patent US10766902 (2020)

More data for this
Ligand-Target Pair
Wee1-like protein kinase


(Homo sapiens (Human))
BDBM462367
PNG
(US10766902, Example 80)
Show SMILES CC(C)n1cc(Nc2ncc3c(n2)n(-c2cccc(N=S(C)(C)=O)n2)n(CC=C)c3=O)cn1
Show InChI InChI=1S/C21H25N9O2S/c1-6-10-29-20(31)16-12-22-21(24-15-11-23-28(13-15)14(2)3)26-19(16)30(29)18-9-7-8-17(25-18)27-33(4,5)32/h6-9,11-14H,1,10H2,2-5H3,(H,22,24,26)
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ALMAC DISCOVERY LIMITED

US Patent


Assay Description
All reactions took place in 60 μL volumes in reaction buffer containing 40 mM Tris-HCl and 20 mM magnesium chloride, supplemented with 0.1 mg/mL...


US Patent US10766902 (2020)

More data for this
Ligand-Target Pair
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