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PubMed code 16884302

Compile Data Set for Download or QSAR

Found 209 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))
BDBM50192371
PNG
(4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazol...)
Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
Show InChI InChI=1S/C20H11ClN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
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n/an/a 11n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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 12n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(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 17n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(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 21n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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 21n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(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 21n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50192395
PNG
(4-(4-amino-2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]...)
Show SMILES Nc1ccc(c(Cl)c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12
Show InChI InChI=1S/C20H12ClN3O3/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 24n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
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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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(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 26n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(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 32n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(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 32n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(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 38n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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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University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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 67n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(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 73n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50192369
PNG
(3,9-dihydroxy-4-phenyl-2,3-dihydropyrrolo[3,4-c]ca...)
Show SMILES OC1NC(=O)c2c1c(cc1[nH]c3ccc(O)cc3c21)-c1ccccc1
Show InChI InChI=1S/C20H14N2O3/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/h1-9,19,21,23-24H,(H,22,25)
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n/an/a 74n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(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 77n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition at human Chk1 in presence of 4 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
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



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human Wee1 in presence of 9.5 uM ATP


J Med Chem 49: 4896-911 (2006)


Article DOI: 10.1021/jm0512591
BindingDB Entry DOI: 10.7270/Q23778BD
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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* indicates data uncertainty>20%