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13 molecules are shown

Wt: 332.3
BDBM14649
Wt: 382.4
BDBM14650
Wt: 403.4
BDBM14652
Wt: 302.3
BDBM14654
Wt: 360.4
BDBM14660
Wt: 388.4
BDBM14661
Wt: 422.4
BDBM14662
Wt: 333.3
BDBM14665
Wt: 446.4
BDBM14666
Wt: 445.5
BDBM14667
Wt: 404.4
BDBM14668
Wt: 332.3
BDBM14669
Wt: 396.3
BDBM50325283

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 14649,14650,14652,14654,14660,14661,14662,14665,14666,14667,14668,14669,50325283   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14649
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11-
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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14652
PNG
((3Z)-3-[(2,3-dimethoxyphenyl)methylidene]-6-(4-hyd...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3cccc(OC)c3OC)C(=O)Nc2c1
Show InChI InChI=1S/C24H21NO5/c1-28-21-6-4-5-16(23(21)30-3)11-18-17-9-7-14(12-19(17)25-24(18)27)15-8-10-20(26)22(13-15)29-2/h4-13,26H,1-3H3,(H,25,27)/b18-11-
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n/an/a>5.00E+4n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14654
PNG
((3Z)-6-(4-hydroxyphenyl)-3-(1H-pyrrol-3-ylmethylid...)
Show SMILES Oc1ccc(cc1)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
Show InChI InChI=1S/C19H14N2O2/c22-15-4-1-13(2-5-15)14-3-6-16-17(9-12-7-8-20-11-12)19(23)21-18(16)10-14/h1-11,20,22H,(H,21,23)/b17-9-
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n/an/a 29n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14660
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3[nH]c(C)cc3C)C(=O)Nc2c1
Show InChI InChI=1S/C22H20N2O3/c1-12-8-13(2)23-18(12)11-17-16-6-4-14(9-19(16)24-22(17)26)15-5-7-20(25)21(10-15)27-3/h4-11,23,25H,1-3H3,(H,24,26)/b17-11-
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n/an/a 120n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14661
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-{[5-methyl-3-...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3[nH]c(C)cc3C(C)C)C(=O)Nc2c1
Show InChI InChI=1S/C24H24N2O3/c1-13(2)18-9-14(3)25-21(18)12-19-17-7-5-15(10-20(17)26-24(19)28)16-6-8-22(27)23(11-16)29-4/h5-13,25,27H,1-4H3,(H,26,28)/b19-12-
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n/an/a 3.47E+3n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14662
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(5-methyl-3-...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3[nH]c(C)cc3-c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1S/C27H22N2O3/c1-16-12-21(17-6-4-3-5-7-17)24(28-16)15-22-20-10-8-18(13-23(20)29-27(22)31)19-9-11-25(30)26(14-19)32-2/h3-15,28,30H,1-2H3,(H,29,31)/b22-15-
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n/an/a>1.00E+4n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14665
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ncc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C19H15N3O3/c1-25-17-9-12(3-5-16(17)23)11-2-4-13-14(10-18-20-6-7-21-18)19(24)22-15(13)8-11/h2-10,23H,1H3,(H,20,21)(H,22,24)/b14-10-
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n/an/a 18n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14666
PNG
(indolinone analog 30 | methyl 3-(5-{[(3Z)-6-(4-hyd...)
Show SMILES COC(=O)CCc1c(C)[nH]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)c(OC)c2)c1C
Show InChI InChI=1S/C26H26N2O5/c1-14-18(8-10-25(30)33-4)15(2)27-21(14)13-20-19-7-5-16(11-22(19)28-26(20)31)17-6-9-23(29)24(12-17)32-3/h5-7,9,11-13,27,29H,8,10H2,1-4H3,(H,28,31)/b20-13-
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n/an/a 75n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14667
PNG
((3Z)-3-({4-[(dimethylamino)methyl]-5-methyl-3-(pro...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3[nH]c(C)c(CN(C)C)c3C(C)C)C(=O)Nc2c1
Show InChI InChI=1S/C27H31N3O3/c1-15(2)26-21(14-30(4)5)16(3)28-23(26)13-20-19-9-7-17(11-22(19)29-27(20)32)18-8-10-24(31)25(12-18)33-6/h7-13,15,28,31H,14H2,1-6H3,(H,29,32)/b20-13-
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n/an/a 1.28E+3n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14668
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-{[4-(2-hydrox...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3[nH]c(C)c(CCO)c3C)C(=O)Nc2c1
Show InChI InChI=1S/C24H24N2O4/c1-13-17(8-9-27)14(2)25-20(13)12-19-18-6-4-15(10-21(18)26-24(19)29)16-5-7-22(28)23(11-16)30-3/h4-7,10-12,25,27-28H,8-9H2,1-3H3,(H,26,29)/b19-12-
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n/an/a 47n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14669
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-3-...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N2O3/c1-25-19-10-14(3-5-18(19)23)13-2-4-15-16(8-12-6-7-21-11-12)20(24)22-17(15)9-13/h2-11,21,23H,1H3,(H,22,24)/b16-8-
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n/an/a 25n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14649
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11-
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n/an/a 7n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins


Bioorg Med Chem Lett 20: 5065-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50325283
PNG
((Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(selenophen-2-...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc[se]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H15NO3Se/c1-24-19-10-13(5-7-18(19)22)12-4-6-15-16(11-14-3-2-8-25-14)20(23)21-17(15)9-12/h2-11,22H,1H3,(H,21,23)/b16-11-
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n/an/a 21n/an/an/an/an/an/a



Development Center for Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins


Bioorg Med Chem Lett 20: 5065-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14649
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11-
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n/an/a 7n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14650
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-y...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3c[nH]c4ccccc34)C(=O)Nc2c1
Show InChI InChI=1S/C24H18N2O3/c1-29-23-12-15(7-9-22(23)27)14-6-8-18-19(24(28)26-21(18)11-14)10-16-13-25-20-5-3-2-4-17(16)20/h2-13,25,27H,1H3,(H,26,28)/b19-10-
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n/an/a 92n/an/an/an/a7.422



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


Bioorg Med Chem Lett 16: 421-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.09.064
BindingDB Entry DOI: 10.7270/Q22J694J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)