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PubMed code 18976834

Compile data set for download or QSAR
Found 169 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))
BDBM50245523
PNG
(3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)
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n/an/a 6n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50245496
PNG
(4-(2,6-Dichlorophenyl)-9-hydroxy-6-(3-hydroxypropy...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(23.53,-35.27,;24.56,-34.12,;24.08,-32.66,;25.11,-31.51,;24.63,-30.05,;23.16,-29.57,;21.82,-30.34,;20.49,-29.57,;20.49,-28.02,;19.16,-27.25,;21.82,-27.25,;23.16,-28.02,;24.63,-27.54,;25.26,-26.13,;24.64,-24.72,;23.13,-24.4,;25.78,-23.7,;27.11,-24.47,;28.52,-23.85,;26.79,-25.97,;27.71,-27.22,;27.08,-28.64,;25.54,-28.79,;29.23,-27.06,;30.14,-28.31,;29.51,-29.72,;31.67,-28.15,;32.3,-26.75,;31.38,-25.5,;29.86,-25.66,;29.84,-24.12,)|
Show InChI InChI=1S/C23H16Cl2N2O4/c24-14-3-1-4-15(25)18(14)13-10-17-19(21-20(13)22(30)26-23(21)31)12-9-11(29)5-6-16(12)27(17)7-2-8-28/h1,3-6,9-10,28-29H,2,7-8H2,(H,26,30,31)
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n/an/a 7.10n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232241
PNG
(4-(2-Chlorophenyl)-9-hydroxy-6-(3-hydroxypropyl)-p...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O4/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)25-23(21)30)15-10-12(28)6-7-17(15)26(18)8-3-9-27/h1-2,4-7,10-11,27-28H,3,8-9H2,(H,25,29,30)
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n/an/a 8.90n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279633
PNG
(6-(2-(1H-1,2,3-triazol-1-ylsulfinyl)ethyl)-4-(2-ch...)
Show SMILES Oc1ccc2n(CCS(=O)n3ccnn3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN5O4S/c25-17-4-2-1-3-14(17)15-12-19-20(22-21(15)23(32)27-24(22)33)16-11-13(31)5-6-18(16)29(19)9-10-35(34)30-8-7-26-28-30/h1-8,11-12,31H,9-10H2,(H,27,32,33)
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n/an/a 9n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192414
PNG
(4-(3-amino-2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]...)
Show SMILES Nc1cccc(c1Cl)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12ClN3O3/c21-18-9(2-1-3-12(18)22)10-7-14-15(17-16(10)19(26)24-20(17)27)11-6-8(25)4-5-13(11)23-14/h1-7,23,25H,22H2,(H,24,26,27)
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n/an/a 12n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192422
PNG
(4-(2-iodophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1I
Show InChI InChI=1S/C20H11IN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
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n/an/a 13n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192377
PNG
(4-(2-chloro-6-methoxyphenyl)-9-hydroxypyrrolo[3,4-...)
Show SMILES COc1cccc(Cl)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(32.88,-28.65,;32.26,-30.06,;33.17,-31.3,;34.7,-31.13,;35.61,-32.38,;34.99,-33.79,;33.46,-33.95,;32.84,-35.36,;32.55,-32.7,;31.03,-32.87,;30.4,-34.28,;28.86,-34.44,;27.96,-35.69,;26.48,-35.21,;25.15,-35.98,;23.82,-35.21,;23.82,-33.67,;22.49,-32.9,;25.15,-32.9,;26.48,-33.66,;27.96,-33.18,;28.58,-31.78,;27.96,-30.37,;26.46,-30.05,;29.1,-29.35,;30.43,-30.12,;31.84,-29.5,;30.11,-31.62,)|
Show InChI InChI=1S/C21H13ClN2O4/c1-28-15-4-2-3-12(22)16(15)11-8-14-17(19-18(11)20(26)24-21(19)27)10-7-9(25)5-6-13(10)23-14/h2-8,23,25H,1H3,(H,24,26,27)
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n/an/a 15n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279729
PNG
(CHEMBL472689 | N-(2-(1H-pyrrol-1-yl)ethyl)-4-(2-ch...)
Show SMILES Cn1c2cc(C(=O)NCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H21ClN4O4/c1-32-20-13-18(26(35)30-8-11-33-9-4-5-10-33)22(34)14-17(20)23-21(32)12-16(15-6-2-3-7-19(15)29)24-25(23)28(37)31-27(24)36/h2-7,9-10,12-14,34H,8,11H2,1H3,(H,30,35)(H,31,36,37)
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n/an/a 15n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192382
PNG
(4-(2,6-dichloro-3-hydroxyphenyl)-9-hydroxypyrrolo[...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)ccc(O)c1Cl |(-8.42,-23.21,;-7.09,-23.98,;-7.09,-25.52,;-5.76,-26.29,;-4.43,-25.52,;-2.95,-26,;-2.05,-24.75,;-.51,-24.59,;.12,-23.18,;-.8,-21.93,;-.48,-20.43,;.93,-19.81,;-1.81,-19.66,;-2.95,-20.68,;-4.45,-20.36,;-2.33,-22.09,;-2.95,-23.49,;-4.43,-23.97,;-5.76,-23.21,;1.64,-23.01,;2.26,-21.61,;1.35,-20.37,;3.79,-21.44,;4.7,-22.69,;4.08,-24.1,;4.99,-25.34,;2.55,-24.26,;1.93,-25.67,)|
Show InChI InChI=1S/C20H10Cl2N2O4/c21-10-2-4-13(26)18(22)14(10)9-6-12-15(17-16(9)19(27)24-20(17)28)8-5-7(25)1-3-11(8)23-12/h1-6,23,25-26H,(H,24,27,28)
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n/an/a 18n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279690
PNG
(8-(3-(1H-pyrrol-1-yl)propoxy)-4-(2-chlorophenyl)-9...)
Show SMILES OCCn1c2cc(c3C(=O)NC(=O)c3c2c2=CC(O)(O)C(OCCCn3cccc3)C=c12)-c1ccccc1Cl |t:17,33|
Show InChI InChI=1S/C29H26ClN3O6/c30-20-7-2-1-6-17(20)18-14-22-24(26-25(18)27(35)31-28(26)36)19-16-29(37,38)23(15-21(19)33(22)11-12-34)39-13-5-10-32-8-3-4-9-32/h1-4,6-9,14-16,23,34,37-38H,5,10-13H2,(H,31,35,36)
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n/an/a 18n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279498
PNG
(6-(2-(1H-1,2,3-triazol-1-ylsulfonyl)ethyl)-4-(2-ch...)
Show SMILES Oc1ccc2n(CCS(=O)(=O)n3ccnn3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN5O5S/c25-17-4-2-1-3-14(17)15-12-19-20(22-21(15)23(32)27-24(22)33)16-11-13(31)5-6-18(16)29(19)9-10-36(34,35)30-8-7-26-28-30/h1-8,11-12,31H,9-10H2,(H,27,32,33)
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n/an/a 19n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192402
PNG
(4-(4-amino-2-methoxyphenyl)-9-hydroxypyrrolo[3,4-c...)
Show SMILES COc1cc(N)ccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H15N3O4/c1-28-16-6-9(22)2-4-11(16)12-8-15-17(19-18(12)20(26)24-21(19)27)13-7-10(25)3-5-14(13)23-15/h2-8,23,25H,22H2,1H3,(H,24,26,27)
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n/an/a 19n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192389
PNG
(4-(5-amino-2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]...)
Show SMILES Nc1ccc(Cl)c(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12ClN3O3/c21-13-3-1-8(22)5-10(13)11-7-15-16(18-17(11)19(26)24-20(18)27)12-6-9(25)2-4-14(12)23-15/h1-7,23,25H,22H2,(H,24,26,27)
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n/an/a 20n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279710
PNG
(8-(3-(1H-pyrrol-1-yl)propylthio)-4-(2-chlorophenyl...)
Show SMILES Cn1c2cc(SCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H22ClN3O3S/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-5,7-10,13-15,33H,6,11-12H2,1H3,(H,30,34,35)
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n/an/a 20n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192435
PNG
(4-(4-amino-2-bromophenyl)-9-hydroxypyrrolo[3,4-c]c...)
Show SMILES Nc1ccc(c(Br)c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12BrN3O3/c21-13-5-8(22)1-3-10(13)11-7-15-16(18-17(11)19(26)24-20(18)27)12-6-9(25)2-4-14(12)23-15/h1-7,23,25H,22H2,(H,24,26,27)
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n/an/a 20n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279442
PNG
(3-(9-hydroxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-c]ca...)
Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Show InChI InChI=1S/C17H13N3O4/c18-13(22)5-6-20-11-3-1-8(21)7-10(11)14-12(20)4-2-9-15(14)17(24)19-16(9)23/h1-4,7,21H,5-6H2,(H2,18,22)(H,19,23,24)
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n/an/a 21n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192381
PNG
(4-(2-chloro-4-hydroxyphenyl)-9-hydroxypyrrolo[3,4-...)
Show SMILES Oc1ccc(c(Cl)c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H11ClN2O4/c21-13-6-9(25)1-3-10(13)11-7-15-16(18-17(11)19(26)23-20(18)27)12-5-8(24)2-4-14(12)22-15/h1-7,22,24-25H,(H,23,26,27)
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n/an/a 23n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279580
PNG
(3-(9-hydroxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-c]ca...)
Show SMILES OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Show InChI InChI=1S/C17H12N2O5/c20-8-1-3-11-10(7-8)14-12(19(11)6-5-13(21)22)4-2-9-15(14)17(24)18-16(9)23/h1-4,7,20H,5-6H2,(H,21,22)(H,18,23,24)
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n/an/a 23n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192440
PNG
(4-(2-bromophenyl)-9-hydroxypyrrolo[3,4-c]carbazole...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Br
Show InChI InChI=1S/C20H11BrN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
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n/an/a 23n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279632
PNG
(6-(2-(1H-1,2,3-triazol-1-ylthio)ethyl)-4-(2-chloro...)
Show SMILES Oc1ccc2n(CCSn3ccnn3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C24H16ClN5O3S/c25-17-4-2-1-3-14(17)15-12-19-20(22-21(15)23(32)27-24(22)33)16-11-13(31)5-6-18(16)29(19)9-10-34-30-8-7-26-28-30/h1-8,11-12,31H,9-10H2,(H,27,32,33)
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n/an/a 24n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279631
PNG
(4-(3-amino-4-chlorophenyl)-9-hydroxypyrrolo[3,4-c]...)
Show SMILES Nc1cc(ccc1Cl)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12ClN3O3/c21-12-3-1-8(5-13(12)22)10-7-15-16(18-17(10)19(26)24-20(18)27)11-6-9(25)2-4-14(11)23-15/h1-7,23,25H,22H2,(H,24,26,27)
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n/an/a 24n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279674
PNG
(8-(4-(1H-pyrrol-1-yl)butyl)-4-(2-chlorophenyl)-9-h...)
Show SMILES OCCn1c2cc(CCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C30H26ClN3O4/c31-22-9-2-1-8-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)13-14-35)7-3-4-10-33-11-5-6-12-33/h1-2,5-6,8-9,11-12,15-17,35-36H,3-4,7,10,13-14H2,(H,32,37,38)
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n/an/a 24n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279709
PNG
(8-(3-(1H-pyrrol-1-yl)propoxy)-4-(2-chlorophenyl)-9...)
Show SMILES OCCn1c2cc(OCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H24ClN3O5/c30-20-7-2-1-6-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)11-12-34)38-13-5-10-32-8-3-4-9-32/h1-4,6-9,14-16,34-35H,5,10-13H2,(H,31,36,37)
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n/an/a 24n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192374
PNG
(9-hydroxy-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazo...)
Show SMILES COc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O4/c1-27-16-5-3-2-4-11(16)12-9-15-17(19-18(12)20(25)23-21(19)26)13-8-10(24)6-7-14(13)22-15/h2-9,22,24H,1H3,(H,23,25,26)
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n/an/a 24n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279726
PNG
(9-hydroxy-6-(2-hydroxyethyl)pyrrolo[3,4-c]carbazol...)
Show SMILES OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Show InChI InChI=1S/C16H12N2O4/c19-6-5-18-11-3-1-8(20)7-10(11)13-12(18)4-2-9-14(13)16(22)17-15(9)21/h1-4,7,19-20H,5-6H2,(H,17,21,22)
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n/an/a 25n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192394
PNG
(4-(2,6-dimethoxyphenyl)-9-hydroxypyrrolo[3,4-c]car...)
Show SMILES COc1cccc(OC)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(18.36,-14.01,;19.89,-13.84,;20.51,-12.44,;22.04,-12.27,;22.67,-10.86,;21.75,-9.62,;20.22,-9.79,;19.31,-8.55,;19.93,-7.14,;19.61,-11.19,;18.09,-11.36,;17.45,-12.77,;15.92,-12.93,;15.01,-14.18,;13.54,-13.7,;12.2,-14.47,;10.87,-13.7,;10.87,-12.16,;9.54,-11.39,;12.2,-11.39,;13.53,-12.15,;15.01,-11.67,;15.64,-10.26,;15.01,-8.86,;13.51,-8.54,;16.16,-7.83,;17.49,-8.61,;18.89,-7.98,;17.16,-10.11,)|
Show InChI InChI=1S/C22H16N2O5/c1-28-15-4-3-5-16(29-2)18(15)12-9-14-17(20-19(12)21(26)24-22(20)27)11-8-10(25)6-7-13(11)23-14/h3-9,23,25H,1-2H3,(H,24,26,27)
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n/an/a 27n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192437
PNG
(4-(2,3-dichlorophenyl)-9-hydroxypyrrolo[3,4-c]carb...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(Cl)c1Cl
Show InChI InChI=1S/C20H10Cl2N2O3/c21-12-3-1-2-9(18(12)22)10-7-14-15(17-16(10)19(26)24-20(17)27)11-6-8(25)4-5-13(11)23-14/h1-7,23,25H,(H,24,26,27)
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n/an/a 28n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192393
PNG
(4-(2-chloro-3-hydroxyphenyl)-9-hydroxypyrrolo[3,4-...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(O)c1Cl
Show InChI InChI=1S/C20H11ClN2O4/c21-18-9(2-1-3-14(18)25)10-7-13-15(17-16(10)19(26)23-20(17)27)11-6-8(24)4-5-12(11)22-13/h1-7,22,24-25H,(H,23,26,27)
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n/an/a 28n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192344
PNG
(4-(2-fluoro-6-methoxyphenyl)-9-hydroxypyrrolo[3,4-...)
Show SMILES COc1cccc(F)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(35.24,-13.49,;36.77,-13.32,;37.4,-11.92,;38.93,-11.75,;39.55,-10.34,;38.63,-9.1,;37.11,-9.27,;36.2,-8.03,;36.49,-10.67,;34.97,-10.84,;34.34,-12.25,;32.8,-12.41,;31.89,-13.66,;30.42,-13.18,;29.09,-13.95,;27.75,-13.18,;27.76,-11.64,;26.42,-10.87,;29.08,-10.87,;30.42,-11.63,;31.89,-11.15,;32.52,-9.74,;31.9,-8.34,;30.39,-8.02,;33.04,-7.31,;34.37,-8.08,;35.78,-7.46,;34.05,-9.59,)|
Show InChI InChI=1S/C21H13FN2O4/c1-28-15-4-2-3-12(22)16(15)11-8-14-17(19-18(11)20(26)24-21(19)27)10-7-9(25)5-6-13(10)23-14/h2-8,23,25H,1H3,(H,24,26,27)
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n/an/a 29n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192372
PNG
(4-(2-chlorophenyl)-9-hydroxy-1H-[1]benzofuro[3,2-e...)
Show SMILES Oc1ccc2oc3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C20H10ClNO4/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(24)22-20(18)25)12-7-9(23)5-6-14(12)26-15/h1-8,23H,(H,22,24,25)
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n/an/a 33n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192363
PNG
(9-hydroxy-4-(2-(methylthio)phenyl)pyrrolo[3,4-c]ca...)
Show SMILES CSc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O3S/c1-27-16-5-3-2-4-11(16)12-9-15-17(19-18(12)20(25)23-21(19)26)13-8-10(24)6-7-14(13)22-15/h2-9,22,24H,1H3,(H,23,25,26)
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n/an/a 33n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279727
PNG
(8-(3-(1H-pyrrol-1-yl)propylsulfinyl)-4-(2-chloroph...)
Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)CCCn1cccc1
Show InChI InChI=1S/C28H22ClN3O4S/c1-31-20-15-23(37(36)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-5,7-10,13-15,33H,6,11-12H2,1H3,(H,30,34,35)
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n/an/a 33n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192427
PNG
(4-(2,6-dibromophenyl)-9-hydroxypyrrolo[3,4-c]carba...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Br)cccc1Br |(7.66,-44.93,;8.99,-45.7,;8.99,-47.24,;10.32,-48.02,;11.65,-47.25,;13.13,-47.72,;14.03,-46.47,;15.57,-46.31,;16.2,-44.9,;15.28,-43.65,;15.6,-42.15,;17.01,-41.53,;14.27,-41.38,;13.13,-42.4,;11.63,-42.08,;13.75,-43.81,;13.13,-45.22,;11.65,-45.69,;10.32,-44.93,;17.72,-44.74,;18.63,-45.98,;18.01,-47.39,;20.16,-45.82,;20.78,-44.41,;19.87,-43.16,;18.34,-43.33,;17.43,-42.09,)|
Show InChI InChI=1S/C20H10Br2N2O3/c21-11-2-1-3-12(22)15(11)10-7-14-16(18-17(10)19(26)24-20(18)27)9-6-8(25)4-5-13(9)23-14/h1-7,23,25H,(H,24,26,27)
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n/an/a 35n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279656
PNG
(8-(4-(1H-pyrrol-1-yl)butyl)-4-(2-chlorophenyl)-9-h...)
Show SMILES Cn1c2cc(CCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C29H24ClN3O3/c1-32-22-14-17(8-4-5-11-33-12-6-7-13-33)24(34)16-20(22)25-23(32)15-19(18-9-2-3-10-21(18)30)26-27(25)29(36)31-28(26)35/h2-3,6-7,9-10,12-16,34H,4-5,8,11H2,1H3,(H,31,35,36)
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n/an/a 36n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279518
PNG
(8-(3-(1H-pyrrol-1-yl)propoxy)-4-(2-chlorophenyl)-9...)
Show SMILES Oc1cc2c(cc1OCCCn1cccc1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Show InChI InChI=1S/C27H20ClN3O4/c28-18-7-2-1-6-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)35-11-5-10-31-8-3-4-9-31/h1-4,6-9,12-14,29,32H,5,10-11H2,(H,30,33,34)
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n/an/a 36n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192415
PNG
(9-hydroxy-4-(1H-pyrrol-3-yl)pyrrolo[3,4-c]carbazol...)
Show SMILES Oc1ccc2[nH]c3cc(-c4cc[nH]c4)c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C18H11N3O3/c22-9-1-2-12-11(5-9)14-13(20-12)6-10(8-3-4-19-7-8)15-16(14)18(24)21-17(15)23/h1-7,19-20,22H,(H,21,23,24)
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n/an/a 38n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192423
PNG
(4-(2-chloro-5-hydroxyphenyl)-9-hydroxypyrrolo[3,4-...)
Show SMILES Oc1ccc(Cl)c(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H11ClN2O4/c21-13-3-1-8(24)5-10(13)11-7-15-16(18-17(11)19(26)23-20(18)27)12-6-9(25)2-4-14(12)22-15/h1-7,22,24-25H,(H,23,26,27)
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n/an/a 42n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192428
PNG
(9-hydroxy-4-(3-thienyl)pyrrolo[3,4-c]carbazole-1,3...)
Show SMILES Oc1ccc2[nH]c3cc(-c4ccsc4)c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C18H10N2O3S/c21-9-1-2-12-11(5-9)14-13(19-12)6-10(8-3-4-24-7-8)15-16(14)18(23)20-17(15)22/h1-7,19,21H,(H,20,22,23)
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n/an/a 42n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192403
PNG
(4-(2-chloro-6-hydroxyphenyl)-9-hydroxypyrrolo[3,4-...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(O)cccc1Cl |(7.55,-32.91,;8.88,-33.68,;8.88,-35.22,;10.21,-36,;11.55,-35.22,;13.02,-35.7,;13.92,-34.45,;15.46,-34.29,;16.1,-32.88,;15.17,-31.63,;15.5,-30.13,;16.9,-29.51,;14.17,-29.36,;13.02,-30.38,;11.52,-30.06,;13.65,-31.79,;13.02,-33.19,;11.54,-33.67,;10.21,-32.91,;17.62,-32.71,;18.23,-31.31,;17.32,-30.07,;19.76,-31.14,;20.68,-32.39,;20.05,-33.8,;18.52,-33.96,;17.9,-35.37,)|
Show InChI InChI=1S/C20H11ClN2O4/c21-11-2-1-3-14(25)15(11)10-7-13-16(18-17(10)19(26)23-20(18)27)9-6-8(24)4-5-12(9)22-13/h1-7,22,24-25H,(H,23,26,27)
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n/an/a 45n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279728
PNG
(CHEMBL514192 | N-(2-(1H-pyrrol-1-yl)ethyl)-4-(2-ch...)
Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)NCCn1cccc1
Show InChI InChI=1S/C27H21ClN4O5S/c1-31-19-14-22(38(36,37)29-8-11-32-9-4-5-10-32)21(33)13-17(19)23-20(31)12-16(15-6-2-3-7-18(15)28)24-25(23)27(35)30-26(24)34/h2-7,9-10,12-14,29,33H,8,11H2,1H3,(H,30,34,35)
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n/an/a 46n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192443
PNG
(9-hydroxy-4-(2-nitrophenyl)pyrrolo[3,4-c]carbazole...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C20H11N3O5/c24-9-5-6-13-12(7-9)16-14(21-13)8-11(17-18(16)20(26)22-19(17)25)10-3-1-2-4-15(10)23(27)28/h1-8,21,24H,(H,22,25,26)
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n/an/a 47n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192424
PNG
(4-(2,6-dichloro-4-hydroxyphenyl)-9-hydroxypyrrolo[...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cc(O)cc1Cl |(7.99,-23.45,;9.33,-24.22,;9.32,-25.76,;10.66,-26.53,;11.99,-25.76,;13.46,-26.24,;14.37,-24.99,;15.91,-24.83,;16.54,-23.42,;15.62,-22.17,;15.94,-20.66,;17.35,-20.04,;14.61,-19.89,;13.47,-20.92,;11.96,-20.6,;14.09,-22.32,;13.46,-23.73,;11.99,-24.21,;10.65,-23.45,;18.06,-23.25,;18.68,-21.85,;17.77,-20.61,;20.21,-21.68,;21.12,-22.92,;22.65,-22.76,;20.5,-24.33,;18.97,-24.5,;18.35,-25.9,)|
Show InChI InChI=1S/C20H10Cl2N2O4/c21-11-4-8(26)5-12(22)15(11)10-6-14-16(18-17(10)19(27)24-20(18)28)9-3-7(25)1-2-13(9)23-14/h1-6,23,25-26H,(H,24,27,28)
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n/an/a 49n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279655
PNG
(8-(4-(1H-pyrrol-1-yl)butyl)-4-(2-chlorophenyl)-9-h...)
Show SMILES Oc1cc2c(cc1CCCCn1cccc1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Show InChI InChI=1S/C28H22ClN3O3/c29-20-9-2-1-8-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)7-3-4-10-32-11-5-6-12-32/h1-2,5-6,8-9,11-15,30,33H,3-4,7,10H2,(H,31,34,35)
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n/an/a 50n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192367
PNG
(4-(2-chlorophenyl)-6-ethyl-9-hydroxypyrrolo[3,4-c]...)
Show SMILES CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C22H15ClN2O3/c1-2-25-16-8-7-11(26)9-14(16)18-17(25)10-13(12-5-3-4-6-15(12)23)19-20(18)22(28)24-21(19)27/h3-10,26H,2H2,1H3,(H,24,27,28)
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n/an/a 50n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192387
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-isopropylpyrrolo[3,...)
Show SMILES CC(C)n1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O3/c1-11(2)26-17-8-7-12(27)9-15(17)19-18(26)10-14(13-5-3-4-6-16(13)24)20-21(19)23(29)25-22(20)28/h3-11,27H,1-2H3,(H,25,28,29)
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n/an/a 53n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279497
PNG
(6-(4-(1H-imidazol-1-yl)-4-oxobutyl)-4-(2-chlorophe...)
Show SMILES Oc1ccc2n(CCCC(=O)n3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C27H19ClN4O4/c28-19-5-2-1-4-16(19)17-13-21-23(25-24(17)26(35)30-27(25)36)18-12-15(33)7-8-20(18)32(21)10-3-6-22(34)31-11-9-29-14-31/h1-2,4-5,7-9,11-14,33H,3,6,10H2,(H,30,35,36)
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n/an/a 54n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192390
PNG
(4-(3-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H11ClN2O3/c21-10-3-1-2-9(6-10)12-8-15-16(18-17(12)19(25)23-20(18)26)13-7-11(24)4-5-14(13)22-15/h1-8,22,24H,(H,23,25,26)
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n/an/a 55n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232230
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-(3-morphol...)
Show SMILES Cn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H26ClN3O5/c1-31-20-15-23(37-10-4-7-32-8-11-36-12-9-32)22(33)14-18(20)24-21(31)13-17(16-5-2-3-6-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,5-6,13-15,33H,4,7-12H2,1H3,(H,30,34,35)
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n/an/a 57n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192411
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-methylpyrrolo[3,4-c...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C21H13ClN2O3/c1-24-15-7-6-10(25)8-13(15)17-16(24)9-12(11-4-2-3-5-14(11)22)18-19(17)21(27)23-20(18)26/h2-9,25H,1H3,(H,23,26,27)
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n/an/a 58n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50232232
PNG
(4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...)
Show SMILES CN(C)CCCOc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
Show InChI InChI=1S/C26H24ClN3O4/c1-29(2)9-6-10-34-21-13-18-16(12-20(21)31)22-19(30(18)3)11-15(14-7-4-5-8-17(14)27)23-24(22)26(33)28-25(23)32/h4-5,7-8,11-13,31H,6,9-10H2,1-3H3,(H,28,32,33)
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n/an/a 58n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279536
PNG
(6-(4-(1H-imidazol-1-yl)-4-oxobutyl)-4-(2,6-dichlor...)
Show SMILES Oc1ccc2n(CCCC(=O)n3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(5.42,-7.62,;6.62,-8.58,;6.38,-10.11,;7.59,-11.07,;9.02,-10.51,;10.4,-11.21,;10.47,-12.75,;11.83,-13.46,;11.89,-15,;13.25,-15.72,;14.56,-14.9,;13.32,-17.26,;12.12,-18.21,;12.65,-19.66,;14.19,-19.6,;14.61,-18.11,;11.54,-10.18,;13.08,-10.21,;13.89,-8.88,;13.12,-7.53,;13.63,-6.08,;15.1,-5.63,;12.4,-5.15,;11.14,-6.03,;9.69,-5.52,;11.59,-7.5,;10.79,-8.82,;9.25,-8.98,;8.05,-8.02,;15.42,-8.9,;16.17,-10.25,;15.37,-11.57,;17.7,-10.27,;18.5,-8.95,;17.74,-7.6,;16.2,-7.58,;15.45,-6.24,)|
Show InChI InChI=1S/C27H18Cl2N4O4/c28-17-3-1-4-18(29)22(17)16-12-20-23(25-24(16)26(36)31-27(25)37)15-11-14(34)6-7-19(15)33(20)9-2-5-21(35)32-10-8-30-13-32/h1,3-4,6-8,10-13,34H,2,5,9H2,(H,31,36,37)
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n/an/a 59n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192434
PNG
(9-hydroxy-4-(2-hydroxyphenyl)pyrrolo[3,4-c]carbazo...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1O
Show InChI InChI=1S/C20H12N2O4/c23-9-5-6-13-12(7-9)16-14(21-13)8-11(10-3-1-2-4-15(10)24)17-18(16)20(26)22-19(17)25/h1-8,21,23-24H,(H,22,25,26)
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n/an/a 60n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192360
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-propylpyrrolo[3,4-c...)
Show SMILES CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C23H17ClN2O3/c1-2-9-26-17-8-7-12(27)10-15(17)19-18(26)11-14(13-5-3-4-6-16(13)24)20-21(19)23(29)25-22(20)28/h3-8,10-11,27H,2,9H2,1H3,(H,25,28,29)
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n/an/a 63n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279535
PNG
(4-(2,6-dichlorophenyl)-9-hydroxy-6-(4-morpholino-4...)
Show SMILES Oc1ccc2n(CCCC(=O)N3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(5.42,-7.62,;6.62,-8.58,;6.38,-10.11,;7.59,-11.07,;9.02,-10.51,;10.4,-11.21,;10.47,-12.75,;11.83,-13.46,;11.89,-15,;13.25,-15.72,;14.56,-14.9,;13.32,-17.26,;12.01,-18.07,;12.07,-19.6,;13.43,-20.32,;14.73,-19.5,;14.68,-17.96,;11.54,-10.18,;13.08,-10.21,;13.89,-8.88,;13.12,-7.53,;13.63,-6.08,;15.1,-5.63,;12.4,-5.15,;11.14,-6.03,;9.69,-5.52,;11.59,-7.5,;10.79,-8.82,;9.25,-8.98,;8.05,-8.02,;15.42,-8.9,;16.17,-10.25,;15.37,-11.57,;17.7,-10.27,;18.5,-8.95,;17.74,-7.6,;16.2,-7.58,;15.45,-6.24,)|
Show InChI InChI=1S/C28H23Cl2N3O5/c29-18-3-1-4-19(30)23(18)17-14-21-24(26-25(17)27(36)31-28(26)37)16-13-15(34)6-7-20(16)33(21)8-2-5-22(35)32-9-11-38-12-10-32/h1,3-4,6-7,13-14,34H,2,5,8-12H2,(H,31,36,37)
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n/an/a 64n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279477
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(3-morpholino-3-oxo...)
Show SMILES Oc1ccc2n(CCC(=O)N3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C27H22ClN3O5/c28-19-4-2-1-3-16(19)17-14-21-23(25-24(17)26(34)29-27(25)35)18-13-15(32)5-6-20(18)31(21)8-7-22(33)30-9-11-36-12-10-30/h1-6,13-14,32H,7-12H2,(H,29,34,35)
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n/an/a 65n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192385
PNG
(9-hydroxy-4-(4-hydroxyphenyl)pyrrolo[3,4-c]carbazo...)
Show SMILES Oc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12N2O4/c23-10-3-1-9(2-4-10)12-8-15-16(18-17(12)19(25)22-20(18)26)13-7-11(24)5-6-14(13)21-15/h1-8,21,23-24H,(H,22,25,26)
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n/an/a 68n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192362
PNG
(4-(3-aminophenyl)-9-hydroxypyrrolo[3,4-c]carbazole...)
Show SMILES Nc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H13N3O3/c21-10-3-1-2-9(6-10)12-8-15-16(18-17(12)19(25)23-20(18)26)13-7-11(24)4-5-14(13)22-15/h1-8,22,24H,21H2,(H,23,25,26)
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n/an/a 70n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279534
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-(4-morpholino-4-oxo...)
Show SMILES Oc1ccc2n(CCCC(=O)N3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C28H24ClN3O5/c29-20-5-2-1-4-17(20)18-15-22-24(26-25(18)27(35)30-28(26)36)19-14-16(33)7-8-21(19)32(22)9-3-6-23(34)31-10-12-37-13-11-31/h1-2,4-5,7-8,14-15,33H,3,6,9-13H2,(H,30,35,36)
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n/an/a 71n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279689
PNG
(8-(3-(1H-pyrrol-1-yl)propoxy)-4-(2-chlorophenyl)-9...)
Show SMILES Cn1c2cc(OCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C28H22ClN3O4/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-5,7-10,13-15,33H,6,11-12H2,1H3,(H,30,34,35)
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n/an/a 75n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192379
PNG
(4-(2,6-dimethylphenyl)-9-hydroxypyrrolo[3,4-c]carb...)
Show SMILES Cc1cccc(C)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(19.86,-2.13,;20.49,-.72,;22.02,-.56,;22.64,.85,;21.72,2.1,;20.2,1.93,;19.29,3.17,;19.58,.52,;18.06,.36,;17.42,-1.06,;15.89,-1.21,;14.98,-2.47,;13.5,-1.99,;12.17,-2.76,;10.84,-1.99,;10.84,-.44,;9.51,.33,;12.17,.33,;13.5,-.44,;14.98,.04,;15.61,1.45,;14.98,2.86,;13.48,3.18,;16.13,3.88,;17.46,3.11,;18.86,3.73,;17.13,1.61,)|
Show InChI InChI=1S/C22H16N2O3/c1-10-4-3-5-11(2)17(10)14-9-16-18(20-19(14)21(26)24-22(20)27)13-8-12(25)6-7-15(13)23-16/h3-9,23,25H,1-2H3,(H,24,26,27)
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n/an/a 75n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192361
PNG
(9-Hydroxy-4-phenyl-6-thia-2-aza-cyclopenta[c]fluor...)
Show SMILES Oc1ccc2sc3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C20H11NO3S/c22-11-6-7-14-13(8-11)16-15(25-14)9-12(10-4-2-1-3-5-10)17-18(16)20(24)21-19(17)23/h1-9,22H,(H,21,23,24)
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n/an/a 78n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192384
PNG
(9-hydroxy-4-(3-hydroxyphenyl)pyrrolo[3,4-c]carbazo...)
Show SMILES Oc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12N2O4/c23-10-3-1-2-9(6-10)12-8-15-16(18-17(12)19(25)22-20(18)26)13-7-11(24)4-5-14(13)21-15/h1-8,21,23-24H,(H,22,25,26)
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n/an/a 89n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279494
PNG
(6-(3-(1H-imidazol-1-yl)-3-oxopropyl)-4-(2-chloroph...)
Show SMILES Oc1ccc2n(CCC(=O)n3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C26H17ClN4O4/c27-18-4-2-1-3-15(18)16-12-20-22(24-23(16)25(34)29-26(24)35)17-11-14(32)5-6-19(17)31(20)9-7-21(33)30-10-8-28-13-30/h1-6,8,10-13,32H,7,9H2,(H,29,34,35)
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n/an/a 92n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279557
PNG
(9-hydroxy-6-(3-(phenylamino)propyl)pyrrolo[3,4-c]c...)
Show SMILES Oc1ccc2n(CCCNc3ccccc3)c3ccc4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C23H19N3O3/c27-15-7-9-18-17(13-15)20-19(10-8-16-21(20)23(29)25-22(16)28)26(18)12-4-11-24-14-5-2-1-3-6-14/h1-3,5-10,13,24,27H,4,11-12H2,(H,25,28,29)
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n/an/a 93n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192353
PNG
(4-(5-amino-2-methoxyphenyl)-9-hydroxypyrrolo[3,4-c...)
Show SMILES COc1ccc(N)cc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H15N3O4/c1-28-16-5-2-9(22)6-11(16)12-8-15-17(19-18(12)20(26)24-21(19)27)13-7-10(25)3-4-14(13)23-15/h2-8,23,25H,22H2,1H3,(H,24,26,27)
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n/an/a 110n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279482
PNG
(6-(4-(1H-imidazol-1-yl)-4-oxobutyl)-9-hydroxypyrro...)
Show SMILES Oc1ccc2n(CCCC(=O)n3ccnc3)c3ccc4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C21H16N4O4/c26-12-3-5-15-14(10-12)18-16(6-4-13-19(18)21(29)23-20(13)28)25(15)8-1-2-17(27)24-9-7-22-11-24/h3-7,9-11,26H,1-2,8H2,(H,23,28,29)
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n/an/a 110n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279478
PNG
(4-(2,6-dichlorophenyl)-9-hydroxy-6-(3-morpholino-3...)
Show SMILES Oc1ccc2n(CCC(=O)N3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(-1.49,.05,;-.28,-.9,;-.49,-2.43,;.72,-3.38,;2.15,-2.8,;3.54,-3.48,;3.57,-5.02,;2.25,-5.81,;2.28,-7.35,;3.63,-8.09,;.96,-8.15,;-.38,-7.39,;-1.69,-8.18,;-1.67,-9.72,;-.32,-10.47,;1,-9.68,;4.66,-2.43,;6.21,-2.44,;6.99,-1.1,;6.21,.24,;6.7,1.7,;8.16,2.17,;5.46,2.61,;4.21,1.72,;2.75,2.2,;4.68,.25,;3.9,-1.08,;2.36,-1.26,;1.14,-.32,;8.52,-1.1,;9.29,-2.44,;8.52,-3.77,;10.83,-2.44,;11.6,-1.11,;10.83,.23,;9.29,.23,;8.52,1.56,)|
Show InChI InChI=1S/C27H21Cl2N3O5/c28-17-2-1-3-18(29)22(17)16-13-20-23(25-24(16)26(35)30-27(25)36)15-12-14(33)4-5-19(15)32(20)7-6-21(34)31-8-10-37-11-9-31/h1-5,12-13,33H,6-11H2,(H,30,35,36)
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n/an/a 110n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279495
PNG
(6-(3-(1H-imidazol-1-yl)-3-oxopropyl)-4-(2,6-dichlo...)
Show SMILES Oc1ccc2n(CCC(=O)n3ccnc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(13.54,.17,;14.74,-.8,;14.5,-2.33,;15.7,-3.29,;17.13,-2.74,;18.52,-3.44,;18.54,-4.98,;17.23,-5.77,;17.25,-7.31,;18.6,-8.06,;15.93,-8.11,;14.52,-7.51,;13.51,-8.67,;14.31,-9.99,;15.81,-9.65,;19.65,-2.41,;21.2,-2.44,;22,-1.12,;21.25,.24,;21.75,1.69,;23.23,2.13,;20.53,2.62,;19.27,1.74,;17.82,2.25,;19.71,.27,;18.91,-1.05,;17.37,-1.2,;16.17,-.24,;23.54,-1.15,;24.28,-2.5,;23.49,-3.81,;25.82,-2.53,;26.62,-1.2,;25.86,.15,;24.33,.17,;23.58,1.51,)|
Show InChI InChI=1S/C26H16Cl2N4O4/c27-16-2-1-3-17(28)21(16)15-11-19-22(24-23(15)25(35)30-26(24)36)14-10-13(33)4-5-18(14)32(19)8-6-20(34)31-9-7-29-12-31/h1-5,7,9-12,33H,6,8H2,(H,30,35,36)
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n/an/a 120n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192373
PNG
(9-hydroxy-5-methyl-4-phenylpyrrolo[3,4-c]-carbazol...)
Show SMILES Cc1c(c2C(=O)NC(=O)c2c2c1[nH]c1ccc(O)cc21)-c1ccccc1
Show InChI InChI=1S/C21H14N2O3/c1-10-15(11-5-3-2-4-6-11)17-18(21(26)23-20(17)25)16-13-9-12(24)7-8-14(13)22-19(10)16/h2-9,22,24H,1H3,(H,23,25,26)
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n/an/a 130n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279725
PNG
(9-hydroxy-6-methylpyrrolo[3,4-c]carbazole-1,3(2H,6...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Show InChI InChI=1S/C15H10N2O3/c1-17-10-4-2-7(18)6-9(10)12-11(17)5-3-8-13(12)15(20)16-14(8)19/h2-6,18H,1H3,(H,16,19,20)
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n/an/a 140n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192425
PNG
(9-hydroxy-4-(2-thienyl)pyrrolo[3,4-c]carbazole-1,3...)
Show SMILES Oc1ccc2[nH]c3cc(-c4cccs4)c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C18H10N2O3S/c21-8-3-4-11-9(6-8)14-12(19-11)7-10(13-2-1-5-24-13)15-16(14)18(23)20-17(15)22/h1-7,19,21H,(H,20,22,23)
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n/an/a 140n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279480
PNG
(9-hydroxy-6-(3-morpholino-3-oxopropyl)pyrrolo[3,4-...)
Show SMILES Oc1ccc2n(CCC(=O)N3CCOCC3)c3ccc4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C21H19N3O5/c25-12-1-3-15-14(11-12)18-16(4-2-13-19(18)21(28)22-20(13)27)24(15)6-5-17(26)23-7-9-29-10-8-23/h1-4,11,25H,5-10H2,(H,22,27,28)
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n/an/a 140n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192420
PNG
(4-(4-aminophenyl)-9-hydroxypyrrolo[3,4-c]carbazole...)
Show SMILES Nc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H13N3O3/c21-10-3-1-9(2-4-10)12-8-15-16(18-17(12)19(25)23-20(18)26)13-7-11(24)5-6-14(13)22-15/h1-8,22,24H,21H2,(H,23,25,26)
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n/an/a 150n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192438
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-isopentylpyrrolo[3,...)
Show SMILES CC(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C25H21ClN2O3/c1-13(2)9-10-28-19-8-7-14(29)11-17(19)21-20(28)12-16(15-5-3-4-6-18(15)26)22-23(21)25(31)27-24(22)30/h3-8,11-13,29H,9-10H2,1-2H3,(H,27,30,31)
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n/an/a 150n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192380
PNG
(9-hydroxy-4-(2-methylphenyl)pyrrolo[3,4-c]carbazol...)
Show SMILES Cc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O3/c1-10-4-2-3-5-12(10)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-11(24)6-7-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26)
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n/an/a 150n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279538
PNG
(8-(3-(1H-pyrrol-1-yl)propylsulfonyl)-4-(2-chloroph...)
Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)CCCn1cccc1
Show InChI InChI=1S/C28H22ClN3O5S/c1-31-20-15-23(38(36,37)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-5,7-10,13-15,33H,6,11-12H2,1H3,(H,30,34,35)
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n/an/a 160n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192409
PNG
(4-(2-chlorophenyl)-9-hydroxy-6-pentylpyrrolo[3,4-c...)
Show SMILES CCCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Show InChI InChI=1S/C25H21ClN2O3/c1-2-3-6-11-28-19-10-9-14(29)12-17(19)21-20(28)13-16(15-7-4-5-8-18(15)26)22-23(21)25(31)27-24(22)30/h4-5,7-10,12-13,29H,2-3,6,11H2,1H3,(H,27,30,31)
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n/an/a 170n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279558
PNG
(CHEMBL483801 | N-(2-(dimethylamino)ethyl)-3-(9-hyd...)
Show SMILES CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Show InChI InChI=1S/C21H22N4O4/c1-24(2)10-8-22-17(27)7-9-25-15-5-3-12(26)11-14(15)18-16(25)6-4-13-19(18)21(29)23-20(13)28/h3-6,11,26H,7-10H2,1-2H3,(H,22,27)(H,23,28,29)
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n/an/a 170n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192351
PNG
(3-(9-hydroxy-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(c1)C#N
Show InChI InChI=1S/C21H11N3O3/c22-9-10-2-1-3-11(6-10)13-8-16-17(19-18(13)20(26)24-21(19)27)14-7-12(25)4-5-15(14)23-16/h1-8,23,25H,(H,24,26,27)
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n/an/a 180n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192436
PNG
(9-hydroxy-4-(1H-pyrrol-2-yl)pyrrolo[3,4-c]carbazol...)
Show SMILES Oc1ccc2[nH]c3cc(-c4ccc[nH]4)c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C18H11N3O3/c22-8-3-4-12-9(6-8)14-13(20-12)7-10(11-2-1-5-19-11)15-16(14)18(24)21-17(15)23/h1-7,19-20,22H,(H,21,23,24)
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n/an/a 182n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192383
PNG
(2-(9-hydroxy-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1C#N
Show InChI InChI=1S/C21H11N3O3/c22-9-10-3-1-2-4-12(10)13-8-16-17(19-18(13)20(26)24-21(19)27)14-7-11(25)5-6-15(14)23-16/h1-8,23,25H,(H,24,26,27)
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n/an/a 190n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279747
PNG
(9-hydroxy-6-(3-hydroxypropyl)pyrrolo[3,4-c]carbazo...)
Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Show InChI InChI=1S/C17H14N2O4/c20-7-1-6-19-12-4-2-9(21)8-11(12)14-13(19)5-3-10-15(14)17(23)18-16(10)22/h2-5,8,20-21H,1,6-7H2,(H,18,22,23)
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n/an/a 200n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279463
PNG
(6-(2-(dimethylamino)ethyl)-9-hydroxypyrrolo[3,4-c]...)
Show SMILES CN(C)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Show InChI InChI=1S/C18H17N3O3/c1-20(2)7-8-21-13-5-3-10(22)9-12(13)15-14(21)6-4-11-16(15)18(24)19-17(11)23/h3-6,9,22H,7-8H2,1-2H3,(H,19,23,24)
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n/an/a 200n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192368
PNG
(4-(2-aminophenyl)-9-hydroxypyrrolo[3,4-c]carbazole...)
Show SMILES Nc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H13N3O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,21H2,(H,23,25,26)
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n/an/a 210n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192342
PNG
(9-hydroxy-4-(2-(methylsulfinyl)phenyl)pyrrolo[3,4-...)
Show SMILES CS(=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O4S/c1-28(27)16-5-3-2-4-11(16)12-9-15-17(19-18(12)20(25)23-21(19)26)13-8-10(24)6-7-14(13)22-15/h2-9,22,24H,1H3,(H,23,25,26)
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n/an/a 220n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192432
PNG
(4-(3-fluorophenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(F)c1
Show InChI InChI=1S/C20H11FN2O3/c21-10-3-1-2-9(6-10)12-8-15-16(18-17(12)19(25)23-20(18)26)13-7-11(24)4-5-14(13)22-15/h1-8,22,24H,(H,23,25,26)
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n/an/a 220n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279479
PNG
(6-(3-(1H-imidazol-1-yl)-3-oxopropyl)-9-hydroxypyrr...)
Show SMILES Oc1ccc2n(CCC(=O)n3ccnc3)c3ccc4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C20H14N4O4/c25-11-1-3-14-13(9-11)17-15(4-2-12-18(17)20(28)22-19(12)27)24(14)7-5-16(26)23-8-6-21-10-23/h1-4,6,8-10,25H,5,7H2,(H,22,27,28)
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n/an/a 230n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192365
PNG
(9-hydroxy-4-(3-methylphenyl)pyrrolo[3,4-c]carbazol...)
Show SMILES Cc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O3/c1-10-3-2-4-11(7-10)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-12(24)5-6-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26)
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n/an/a 230n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192433
PNG
(9-hydroxy-6-methyl-4-phenylpyrrolo[3,4-c]carbazole...)
Show SMILES Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1
Show InChI InChI=1S/C21H14N2O3/c1-23-15-8-7-12(24)9-14(15)17-16(23)10-13(11-5-3-2-4-6-11)18-19(17)21(26)22-20(18)25/h2-10,24H,1H3,(H,22,25,26)
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n/an/a 260n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192430
PNG
(4-(2-ethoxyphenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES CCOc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C22H16N2O4/c1-2-28-17-6-4-3-5-12(17)13-10-16-18(20-19(13)21(26)24-22(20)27)14-9-11(25)7-8-15(14)23-16/h3-10,23,25H,2H2,1H3,(H,24,26,27)
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n/an/a 260n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192439
PNG
(4-(2,3-dimethylphenyl)-9-hydroxypyrrolo[3,4-c]carb...)
Show SMILES Cc1cccc(c1C)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C22H16N2O3/c1-10-4-3-5-13(11(10)2)14-9-17-18(20-19(14)21(26)24-22(20)27)15-8-12(25)6-7-16(15)23-17/h3-9,23,25H,1-2H3,(H,24,26,27)
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n/an/a 270n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279496
PNG
(9-hydroxy-6-(3-(methylamino)propyl)pyrrolo[3,4-c]c...)
Show SMILES CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Show InChI InChI=1S/C18H17N3O3/c1-19-7-2-8-21-13-5-3-10(22)9-12(13)15-14(21)6-4-11-16(15)18(24)20-17(11)23/h3-6,9,19,22H,2,7-8H2,1H3,(H,20,23,24)
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n/an/a 280n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279517
PNG
(9-hydroxy-6-(4-morpholino-4-oxobutyl)pyrrolo[3,4-c...)
Show SMILES Oc1ccc2n(CCCC(=O)N3CCOCC3)c3ccc4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C22H21N3O5/c26-13-3-5-16-15(12-13)19-17(6-4-14-20(19)22(29)23-21(14)28)25(16)7-1-2-18(27)24-8-10-30-11-9-24/h3-6,12,26H,1-2,7-11H2,(H,23,28,29)
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n/an/a 290n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192352
PNG
(9-hydroxy-4-(3-nitrophenyl)pyrrolo[3,4-c]carbazole...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H11N3O5/c24-11-4-5-14-13(7-11)16-15(21-14)8-12(17-18(16)20(26)22-19(17)25)9-2-1-3-10(6-9)23(27)28/h1-8,21,24H,(H,22,25,26)
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n/an/a 300n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279537
PNG
(9-hydroxy-6-(3-(4-methylpiperazin-1-yl)propyl)pyrr...)
Show SMILES CN1CCN(CCCn2c3ccc(O)cc3c3c4C(=O)NC(=O)c4ccc23)CC1
Show InChI InChI=1S/C22H24N4O3/c1-24-9-11-25(12-10-24)7-2-8-26-17-5-3-14(27)13-16(17)19-18(26)6-4-15-20(19)22(29)23-21(15)28/h3-6,13,27H,2,7-12H2,1H3,(H,23,28,29)
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n/an/a 300n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192341
PNG
(8-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6...)
Show SMILES Oc1ccc2c(c1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1
Show InChI InChI=1S/C20H12N2O3/c23-11-6-7-12-14(8-11)21-15-9-13(10-4-2-1-3-5-10)17-18(16(12)15)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)
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n/an/a 310n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192356
PNG
(4-(2-fluorophenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1F
Show InChI InChI=1S/C20H11FN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
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n/an/a 330n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279481
PNG
(6-(3-(dimethylamino)propyl)-9-hydroxypyrrolo[3,4-c...)
Show SMILES CN(C)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12
Show InChI InChI=1S/C19H19N3O3/c1-21(2)8-3-9-22-14-6-4-11(23)10-13(14)16-15(22)7-5-12-17(16)19(25)20-18(12)24/h4-7,10,23H,3,8-9H2,1-2H3,(H,20,24,25)
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n/an/a 360n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192343
PNG
(9-hydroxy-4-phenyl-1H-[1]benzofuro[3,2-e]isoindole...)
Show SMILES Oc1ccc2oc3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C20H11NO4/c22-11-6-7-14-13(8-11)16-15(25-14)9-12(10-4-2-1-3-5-10)17-18(16)20(24)21-19(17)23/h1-9,22H,(H,21,23,24)
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n/an/a 430n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192401
PNG
(9-hydroxy-4-(2-(hydroxymethyl)phenyl)pyrrolo[3,4-c...)
Show SMILES OCc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O4/c24-9-10-3-1-2-4-12(10)13-8-16-17(19-18(13)20(26)23-21(19)27)14-7-11(25)5-6-15(14)22-16/h1-8,22,24-25H,9H2,(H,23,26,27)
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n/an/a 450n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192370
PNG
(4-(2,5-dichlorophenyl)-9-hydroxypyrrolo[3,4-c]carb...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cc(Cl)ccc1Cl
Show InChI InChI=1S/C20H10Cl2N2O3/c21-8-1-3-13(22)10(5-8)11-7-15-16(18-17(11)19(26)24-20(18)27)12-6-9(25)2-4-14(12)23-15/h1-7,23,25H,(H,24,26,27)
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n/an/a 490n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192441
PNG
(4-(2-ethylphenyl)-9-hydroxypyrrolo[3,4-c]carbazole...)
Show SMILES CCc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C22H16N2O3/c1-2-11-5-3-4-6-13(11)14-10-17-18(20-19(14)21(26)24-22(20)27)15-9-12(25)7-8-16(15)23-17/h3-10,23,25H,2H2,1H3,(H,24,26,27)
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n/an/a 510n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192357
PNG
(4-(biphenyl-2-yl)-9-hydroxypyrrolo[3,4-c]carbazole...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C26H16N2O3/c29-15-10-11-20-19(12-15)22-21(27-20)13-18(23-24(22)26(31)28-25(23)30)17-9-5-4-8-16(17)14-6-2-1-3-7-14/h1-13,27,29H,(H,28,30,31)
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n/an/a 570n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192364
PNG
(9-hydroxy-4-(3-pyridinyl)pyrrolo[3,4-c]carbazole-1...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccnc1
Show InChI InChI=1S/C19H11N3O3/c23-10-3-4-13-12(6-10)15-14(21-13)7-11(9-2-1-5-20-8-9)16-17(15)19(25)22-18(16)24/h1-8,21,23H,(H,22,24,25)
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n/an/a 580n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192410
PNG
(9-hydroxy-4-(2-(trifluoromethyl)phenyl)pyrrolo[3,4...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H11F3N2O3/c22-21(23,24)13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(28)26-20(18)29)12-7-9(27)5-6-14(12)25-15/h1-8,25,27H,(H,26,28,29)
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n/an/a 580n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192358
PNG
(9-hydroxy-4-(3-methoxyphenyl)pyrrolo[3,4-c]carbazo...)
Show SMILES COc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O4/c1-27-12-4-2-3-10(7-12)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-11(24)5-6-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26)
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n/an/a 620n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192442
PNG
(4-(2-chlorophenyl)-9-methoxypyrrolo[3,4-c]carbazol...)
Show SMILES COc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C21H13ClN2O3/c1-27-10-6-7-15-13(8-10)17-16(23-15)9-12(11-4-2-3-5-14(11)22)18-19(17)21(26)24-20(18)25/h2-9,23H,1H3,(H,24,25,26)
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n/an/a 640n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192429
PNG
(4-(4-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H11ClN2O3/c21-10-3-1-9(2-4-10)12-8-15-16(18-17(12)19(25)23-20(18)26)13-7-11(24)5-6-14(13)22-15/h1-8,22,24H,(H,23,25,26)
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n/an/a 730n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192417
PNG
(9-hydroxy-4-(4-pyridinyl)pyrrolo[3,4-c]carbazole-1...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccncc1
Show InChI InChI=1S/C19H11N3O3/c23-10-1-2-13-12(7-10)15-14(21-13)8-11(9-3-5-20-6-4-9)16-17(15)19(25)22-18(16)24/h1-8,21,23H,(H,22,24,25)
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n/an/a 820n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192416
PNG
(4-(2-acetylphenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES CC(=O)c1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C22H14N2O4/c1-10(25)12-4-2-3-5-13(12)14-9-17-18(20-19(14)21(27)24-22(20)28)15-8-11(26)6-7-16(15)23-17/h2-9,23,26H,1H3,(H,24,27,28)
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n/an/a 830n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192412
PNG
(9-hydroxy-4-(3-(hydroxymethyl)phenyl)pyrrolo[3,4-c...)
Show SMILES OCc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O4/c24-9-10-2-1-3-11(6-10)13-8-16-17(19-18(13)20(26)23-21(19)27)14-7-12(25)4-5-15(14)22-16/h1-8,22,24-25H,9H2,(H,23,26,27)
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n/an/a 870n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192404
PNG
(4-(2,5-dimethylphenyl)-9-hydroxypyrrolo[3,4-c]carb...)
Show SMILES Cc1ccc(C)c(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C22H16N2O3/c1-10-3-4-11(2)13(7-10)14-9-17-18(20-19(14)21(26)24-22(20)27)15-8-12(25)5-6-16(15)23-17/h3-9,23,25H,1-2H3,(H,24,26,27)
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n/an/a 960n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50272364
PNG
(9-hydroxy-4-(4-(methylsulfonyl)phenyl)pyrrolo[3,4-...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O5S/c1-29(27,28)12-5-2-10(3-6-12)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-11(24)4-7-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192413
PNG
(9-hydroxy-4-(4-(hydroxymethyl)phenyl)pyrrolo[3,4-c...)
Show SMILES OCc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O4/c24-9-10-1-3-11(4-2-10)13-8-16-17(19-18(13)20(26)23-21(19)27)14-7-12(25)5-6-15(14)22-16/h1-8,22,24-25H,9H2,(H,23,26,27)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192366
PNG
(5-ethyl-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-...)
Show SMILES CCc1c(c2C(=O)NC(=O)c2c2c1[nH]c1ccc(O)cc21)-c1ccccc1
Show InChI InChI=1S/C22H16N2O3/c1-2-13-16(11-6-4-3-5-7-11)18-19(22(27)24-21(18)26)17-14-10-12(25)8-9-15(14)23-20(13)17/h3-10,23,25H,2H2,1H3,(H,24,26,27)
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n/an/a 1.62E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192355
PNG
(4-(9-hydroxy-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H11N3O3/c22-9-10-1-3-11(4-2-10)13-8-16-17(19-18(13)20(26)24-21(19)27)14-7-12(25)5-6-15(14)23-16/h1-8,23,25H,(H,24,26,27)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192396
PNG
(9-hydroxy-4-iodopyrrolo[3,4-c]carbazole-1,3(2H,6H)...)
Show SMILES Oc1ccc2[nH]c3cc(I)c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C14H7IN2O3/c15-7-4-9-10(12-11(7)13(19)17-14(12)20)6-3-5(18)1-2-8(6)16-9/h1-4,16,18H,(H,17,19,20)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192350
PNG
(9-hydroxy-4,5-diphenylpyrrolo[3,4-c]carbazole-1,3(...)
Show SMILES Oc1ccc2[nH]c3c(-c4ccccc4)c(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C26H16N2O3/c29-16-11-12-18-17(13-16)21-23-22(25(30)28-26(23)31)19(14-7-3-1-4-8-14)20(24(21)27-18)15-9-5-2-6-10-15/h1-13,27,29H,(H,28,30,31)
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n/an/a 2.34E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192406
PNG
(9-hydroxy-4-(4-methylphenyl)pyrrolo[3,4-c]carbazol...)
Show SMILES Cc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O3/c1-10-2-4-11(5-3-10)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-12(24)6-7-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192392
PNG
(4-(4-acetylphenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES CC(=O)c1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C22H14N2O4/c1-10(25)11-2-4-12(5-3-11)14-9-17-18(20-19(14)21(27)24-22(20)28)15-8-13(26)6-7-16(15)23-17/h2-9,23,26H,1H3,(H,24,27,28)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192405
PNG
(2-amino-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-...)
Show SMILES NN1C(=O)c2c(C1=O)c1c(cc2-c2ccccc2)[nH]c2ccc(O)cc12
Show InChI InChI=1S/C20H13N3O3/c21-23-19(25)17-12(10-4-2-1-3-5-10)9-15-16(18(17)20(23)26)13-8-11(24)6-7-14(13)22-15/h1-9,22,24H,21H2
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n/an/a 3.98E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192398
PNG
(9-hydroxy-5-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6...)
Show SMILES Oc1ccc2[nH]c3c(cc4C(=O)NC(=O)c4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C20H12N2O3/c23-11-6-7-15-13(8-11)16-17-14(19(24)22-20(17)25)9-12(18(16)21-15)10-4-2-1-3-5-10/h1-9,21,23H,(H,22,24,25)
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n/an/a 4.07E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192426
PNG
(9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione ...)
Show SMILES Oc1ccc2[nH]c3ccc4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C14H8N2O3/c17-6-1-3-9-8(5-6)11-10(15-9)4-2-7-12(11)14(19)16-13(7)18/h1-5,15,17H,(H,16,18,19)
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n/an/a 4.07E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192386
PNG
(4-(3-acetylphenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES CC(=O)c1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C22H14N2O4/c1-10(25)11-3-2-4-12(7-11)14-9-17-18(20-19(14)21(27)24-22(20)28)15-8-13(26)5-6-16(15)23-17/h2-9,23,26H,1H3,(H,24,27,28)
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n/an/a 4.37E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192346
PNG
(4-(3-(aminomethyl)phenyl)-9-hydroxypyrrolo[3,4-c]c...)
Show SMILES NCc1cccc(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H15N3O3/c22-9-10-2-1-3-11(6-10)13-8-16-17(19-18(13)20(26)24-21(19)27)14-7-12(25)4-5-15(14)23-16/h1-8,23,25H,9,22H2,(H,24,26,27)
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n/an/a 4.47E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192407
PNG
(9-hydroxy-4-methyl-5-phenylpyrrolo[3,4-c]carbazole...)
Show SMILES Cc1c2C(=O)NC(=O)c2c2c([nH]c3ccc(O)cc23)c1-c1ccccc1
Show InChI InChI=1S/C21H14N2O3/c1-10-15(11-5-3-2-4-6-11)19-17(18-16(10)20(25)23-21(18)26)13-9-12(24)7-8-14(13)22-19/h2-9,22,24H,1H3,(H,23,25,26)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192359
PNG
(9-hydroxy-4-(4-methoxyphenyl)pyrrolo[3,4-c]carbazo...)
Show SMILES COc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O4/c1-27-12-5-2-10(3-6-12)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-11(24)4-7-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192375
PNG
(4-(4-fluorophenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H11FN2O3/c21-10-3-1-9(2-4-10)12-8-15-16(18-17(12)19(25)23-20(18)26)13-7-11(24)5-6-14(13)22-15/h1-8,22,24H,(H,23,25,26)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192376
PNG
(9-hydroxy-4-(4-(methylthio)phenyl)pyrrolo[3,4-c]ca...)
Show SMILES CSc1ccc(cc1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C21H14N2O3S/c1-27-12-5-2-10(3-6-12)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-11(24)4-7-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26)
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PubMed
n/an/a 2.90E+4n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192348
PNG
(9-hydroxy-4-phenyl-1,2-dihydropyrrolo[3,4-c]carbaz...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NCc4c3c2c1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2/c23-12-6-7-16-14(8-12)18-15-10-21-20(24)19(15)13(9-17(18)22-16)11-4-2-1-3-5-11/h1-9,22-23H,10H2,(H,21,24)
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PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50279443
PNG
(4-(biphenyl-4-yl)-9-hydroxypyrrolo[3,4-c]carbazole...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H16N2O3/c29-17-10-11-20-19(12-17)22-21(27-20)13-18(23-24(22)26(31)28-25(23)30)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,27,29H,(H,28,30,31)
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PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Chulalongkorn University

Curated by ChEMBL


Assay Description
Inhibition of human Wee1


Eur J Med Chem 44: 1383-95 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.027
BindingDB Entry DOI: 10.7270/Q2X34XB6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
* indicates data uncertainty>20%