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Compile Data Set for Download or QSAR

Found 2687 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase Chk1'   
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 Chk1


(Homo sapiens)
BDBM92906
PNG
(CHK1 compound 1)
Show SMILES O[C@H]1CN(C[C@H]1O)C(=O)c1[nH]c2cc(NC(=O)C3C[C@H]3c3ccccc3)cc3c2c1cn[nH]c3=O
Show InChI InChI=1S/C25H21N5O5/c31-19-10-30(11-20(19)32)25(35)22-17-9-26-29-24(34)16-6-13(7-18(28-22)21(16)17)27-23(33)15-8-14(15)12-4-2-1-3-5-12/h1-7,9,14-15,19-20,31-32H,8,10-11H2,(H,27,33)/t14-,15?,19-,20+/m0/s1
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1.75 -49.5n/an/an/an/an/a7.422



Pfizer



Assay Description
The inhibitors reported in this study bind to CHK1 according to a general mechanism illustrated in Scheme 1 where E, S, and I stand for enzyme, subst...


Biochemistry 48: 9823-30 (2009)


Article DOI: 10.1021/bi900258v
BindingDB Entry DOI: 10.7270/Q25M649B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM17054
PNG
((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
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5.60 -49.0n/an/an/an/an/a7.437



GlaxoSmithKline



Assay Description
In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ...


J Biol Chem 277: 46609-15 (2002)


Article DOI: 10.1074/jbc.M201233200
BindingDB Entry DOI: 10.7270/Q2D798PF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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7.80 -48.1n/an/an/an/an/a7.437



GlaxoSmithKline



Assay Description
In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ...


J Biol Chem 277: 46609-15 (2002)


Article DOI: 10.1074/jbc.M201233200
BindingDB Entry DOI: 10.7270/Q2D798PF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM17140
PNG
((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13
Show InChI InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)
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15 -46.5n/an/an/an/an/a7.437



GlaxoSmithKline



Assay Description
In vitro Chk1 enzymatic assay using purified enzyme, was incubated with substrate, and test compounds in the presence of 10 uM ATP/ [gamma-32P] ATP. ...


J Biol Chem 277: 46609-15 (2002)


Article DOI: 10.1074/jbc.M201233200
BindingDB Entry DOI: 10.7270/Q2D798PF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM92908
PNG
(CHK1 compound 3)
Show SMILES CC(C)(C)c1ccc(cc1[N+](O)=O)C(=O)NC(=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C22H21N3O4/c1-22(2,3)17-12-11-15(13-19(17)25(28)29)20(26)24-21(27)23-18-10-6-8-14-7-4-5-9-16(14)18/h4-13H,1-3H3,(H2-,23,24,26,27,28,29)/p+1
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146 -38.6n/an/an/an/an/a7.422



Pfizer



Assay Description
The inhibitors reported in this study bind to CHK1 according to a general mechanism illustrated in Scheme 1 where E, S, and I stand for enzyme, subst...


Biochemistry 48: 9823-30 (2009)


Article DOI: 10.1021/bi900258v
BindingDB Entry DOI: 10.7270/Q25M649B
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM92907
PNG
(CHK1 compound 2)
Show SMILES CC(OC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H13Cl2N3O2/c1-9(15-20-13-4-2-3-5-14(13)21-15)23-16(22)19-10-6-7-11(17)12(18)8-10/h2-9H,1H3,(H,19,22)(H,20,21)
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1.89E+3 -32.3n/an/an/an/an/a7.422



Pfizer



Assay Description
The inhibitors reported in this study bind to CHK1 according to a general mechanism illustrated in Scheme 1 where E, S, and I stand for enzyme, subst...


Biochemistry 48: 9823-30 (2009)


Article DOI: 10.1021/bi900258v
BindingDB Entry DOI: 10.7270/Q25M649B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14610
PNG
(N-pyrazinylurea Analog 8e | methyl 3-[(2-chloro-4-...)
Show SMILES COC(=O)CCC(=O)Nc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
Show InChI InChI=1S/C18H17ClN6O5/c1-29-14-6-12(23-16(26)3-4-17(27)30-2)11(19)5-13(14)24-18(28)25-15-9-21-10(7-20)8-22-15/h5-6,8-9H,3-4H2,1-2H3,(H,23,26)(H2,22,24,25,28)
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n/an/a 15n/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: 2293-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.028
BindingDB Entry DOI: 10.7270/Q26971TD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14611
PNG
(N-pyrazinylurea Analog 8f | methyl 7-[(2-chloro-4-...)
Show SMILES COC(=O)CCCCCCC(=O)Nc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
Show InChI InChI=1S/C22H25ClN6O5/c1-33-18-10-16(27-20(30)7-5-3-4-6-8-21(31)34-2)15(23)9-17(18)28-22(32)29-19-13-25-14(11-24)12-26-19/h9-10,12-13H,3-8H2,1-2H3,(H,27,30)(H2,26,28,29,32)
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n/an/a 23n/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: 2293-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.028
BindingDB Entry DOI: 10.7270/Q26971TD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14612
PNG
(N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...)
Show SMILES COc1cc(NC(=O)c2ccccn2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C19H14ClN7O3/c1-30-16-7-14(25-18(28)13-4-2-3-5-22-13)12(20)6-15(16)26-19(29)27-17-10-23-11(8-21)9-24-17/h2-7,9-10H,1H3,(H,25,28)(H2,24,26,27,29)
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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: 2293-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.028
BindingDB Entry DOI: 10.7270/Q26971TD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14613
PNG
(N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...)
Show SMILES COc1cc(NC(=O)c2cccnc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C19H14ClN7O3/c1-30-16-6-14(25-18(28)11-3-2-4-22-8-11)13(20)5-15(16)26-19(29)27-17-10-23-12(7-21)9-24-17/h2-6,8-10H,1H3,(H,25,28)(H2,24,26,27,29)
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n/an/a 11n/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: 2293-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.028
BindingDB Entry DOI: 10.7270/Q26971TD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14614
PNG
(N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...)
Show SMILES COc1cc(NC(=O)c2ccncc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C19H14ClN7O3/c1-30-16-7-14(25-18(28)11-2-4-22-5-3-11)13(20)6-15(16)26-19(29)27-17-10-23-12(8-21)9-24-17/h2-7,9-10H,1H3,(H,25,28)(H2,24,26,27,29)
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n/an/a 8n/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: 2293-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.028
BindingDB Entry DOI: 10.7270/Q26971TD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14615
PNG
(N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...)
Show SMILES COc1cc(NC(=O)Cc2cccnc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C20H16ClN7O3/c1-31-17-7-15(26-19(29)5-12-3-2-4-23-9-12)14(21)6-16(17)27-20(30)28-18-11-24-13(8-22)10-25-18/h2-4,6-7,9-11H,5H2,1H3,(H,26,29)(H2,25,27,28,30)
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n/an/a 9n/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: 2293-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.028
BindingDB Entry DOI: 10.7270/Q26971TD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14616
PNG
(N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...)
Show SMILES COc1cc(NC(=O)c2ccco2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C18H13ClN6O4/c1-28-15-6-12(23-17(26)14-3-2-4-29-14)11(19)5-13(15)24-18(27)25-16-9-21-10(7-20)8-22-16/h2-6,8-9H,1H3,(H,23,26)(H2,22,24,25,27)
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n/an/a 111n/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: 2293-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.028
BindingDB Entry DOI: 10.7270/Q26971TD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14617
PNG
(N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...)
Show SMILES COc1cc(NC(=O)c2cccs2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C18H13ClN6O3S/c1-28-14-6-12(23-17(26)15-3-2-4-29-15)11(19)5-13(14)24-18(27)25-16-9-21-10(7-20)8-22-16/h2-6,8-9H,1H3,(H,23,26)(H2,22,24,25,27)
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n/an/a 42n/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: 2293-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.028
BindingDB Entry DOI: 10.7270/Q26971TD
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14645
PNG
((3Z)-5-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-...)
Show SMILES COc1cc(ccc1O)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-17-15(9-12)16(20(24)22-17)11-14-3-2-8-21-14/h2-11,21,23H,1H3,(H,22,24)/b16-11-
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n/an/a 2.84E+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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14646
PNG
((3Z)-5-(4-hydroxy-3-methoxyphenyl)-3-(1H-indol-3-y...)
Show SMILES COc1cc(ccc1O)-c1ccc2NC(=O)\C(=C/c3c[nH]c4ccccc34)c2c1
Show InChI InChI=1S/C24H18N2O3/c1-29-23-12-15(7-9-22(23)27)14-6-8-21-18(10-14)19(24(28)26-21)11-16-13-25-20-5-3-2-4-17(16)20/h2-13,25,27H,1H3,(H,26,28)/b19-11-
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14647
PNG
((3Z)-5-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H...)
Show SMILES COc1cc(ccc1O)-c1ccc2NC(=O)\C(=C/c3c[nH]c4c(C)cccc34)c2c1
Show InChI InChI=1S/C25H20N2O3/c1-14-4-3-5-18-17(13-26-24(14)18)11-20-19-10-15(6-8-21(19)27-25(20)29)16-7-9-22(28)23(12-16)30-2/h3-13,26,28H,1-2H3,(H,27,29)/b20-11-
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14648
PNG
((3Z)-3-[(2,3-dimethoxyphenyl)methylidene]-5-(4-hyd...)
Show SMILES COc1cc(ccc1O)-c1ccc2NC(=O)\C(=C/c3cccc(OC)c3OC)c2c1
Show InChI InChI=1S/C24H21NO5/c1-28-21-6-4-5-16(23(21)30-3)12-18-17-11-14(7-9-19(17)25-24(18)27)15-8-10-20(26)22(13-15)29-2/h4-13,26H,1-3H3,(H,25,27)/b18-12-
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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
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)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14651
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(7-methyl-1H...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3c[nH]c4c(C)cccc34)C(=O)Nc2c1
Show InChI InChI=1S/C25H20N2O3/c1-14-4-3-5-18-17(13-26-24(14)18)10-20-19-8-6-15(11-21(19)27-25(20)29)16-7-9-22(28)23(12-16)30-2/h3-13,26,28H,1-2H3,(H,27,29)/b20-10-
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n/an/a 1.31E+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
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)
BDBM14653
PNG
((3Z)-3-(1H-pyrrol-3-ylmethylidene)-6-(3,4,5-trimet...)
Show SMILES COc1cc(cc(OC)c1OC)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
Show InChI InChI=1S/C22H20N2O4/c1-26-19-10-15(11-20(27-2)21(19)28-3)14-4-5-16-17(8-13-6-7-23-12-13)22(25)24-18(16)9-14/h4-12,23H,1-3H3,(H,24,25)/b17-8-
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n/an/a>1.00E+4n/an/an/an/a7.422



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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
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)
BDBM14655
PNG
((3Z)-6-(4-aminophenyl)-3-(1H-pyrrol-3-ylmethyliden...)
Show SMILES Nc1ccc(cc1)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
Show InChI InChI=1S/C19H15N3O/c20-15-4-1-13(2-5-15)14-3-6-16-17(9-12-7-8-21-11-12)19(23)22-18(16)10-14/h1-11,21H,20H2,(H,22,23)/b17-9-
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n/an/a 1.03E+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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14656
PNG
((3Z)-6-(4-hydroxy-2-methoxyphenyl)-3-(1H-pyrrol-3-...)
Show SMILES COc1cc(O)ccc1-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N2O3/c1-25-19-10-14(23)3-5-15(19)13-2-4-16-17(8-12-6-7-21-11-12)20(24)22-18(16)9-13/h2-11,21,23H,1H3,(H,22,24)/b17-8-
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n/an/a 10n/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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14657
PNG
((3Z)-6-(3,4-difluorophenyl)-3-(1H-pyrrol-3-ylmethy...)
Show SMILES Fc1ccc(cc1F)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
Show InChI InChI=1S/C19H12F2N2O/c20-16-4-2-12(8-17(16)21)13-1-3-14-15(7-11-5-6-22-10-11)19(24)23-18(14)9-13/h1-10,22H,(H,23,24)/b15-7-
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14658
PNG
((3Z)-3-(1H-pyrrol-3-ylmethylidene)-6-[4-(trifluoro...)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
Show InChI InChI=1S/C20H13F3N2O2/c21-20(22,23)27-15-4-1-13(2-5-15)14-3-6-16-17(9-12-7-8-24-11-12)19(26)25-18(16)10-14/h1-11,24H,(H,25,26)/b17-9-
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14659
PNG
((3Z)-6-(4-methylphenyl)-3-(1H-pyrrol-3-ylmethylide...)
Show SMILES Cc1ccc(cc1)-c1ccc2\C(=C\c3cc[nH]c3)C(=O)Nc2c1
Show InChI InChI=1S/C20H16N2O/c1-13-2-4-15(5-3-13)16-6-7-17-18(10-14-8-9-21-12-14)20(23)22-19(17)11-16/h2-12,21H,1H3,(H,22,23)/b18-10-
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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
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)
BDBM14663
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(pyrrolidin-2...)
Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\C3CCCN3)C(=O)Nc2c1
Show InChI InChI=1S/C20H20N2O3/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/h4-7,9-11,14,21,23H,2-3,8H2,1H3,(H,22,24)/b16-11-
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n/an/a 3.97E+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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14664
PNG
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-{1H-pyrrolo[2...)
Show SMILES COc1cc(ccc1O)-c1ccc2C(=Cc3c[nH]c4ncccc34)C(=O)Nc2c1
Show InChI InChI=1S/C23H17N3O3/c1-29-21-11-14(5-7-20(21)27)13-4-6-17-18(23(28)26-19(17)10-13)9-15-12-25-22-16(15)3-2-8-24-22/h2-12,27H,1H3,(H,24,25)(H,26,28)
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n/an/a 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
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



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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)
BDBM14670
PNG
(3-{[(3Z)-6-(4-hydroxy-3-methoxyphenyl)-2-oxo-2,3-d...)
Show SMILES COc1cc(ccc1O)-c1ccc2C(=Cc3c[nH]c4nc(ccc34)C#N)C(=O)Nc2c1
Show InChI InChI=1S/C24H16N4O3/c1-31-22-10-14(3-7-21(22)29)13-2-5-18-19(24(30)28-20(18)9-13)8-15-12-26-23-17(15)6-4-16(11-25)27-23/h2-10,12,29H,1H3,(H,26,27)(H,28,30)
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n/an/a 445n/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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM14717
PNG
(1-(5-chloro 2,4-dimethoxyphenyl)-3-(5-cyanopyrazin...)
Show SMILES COc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
Show InChI InChI=1S/C14H12ClN5O3/c1-22-11-4-12(23-2)10(3-9(11)15)19-14(21)20-13-7-17-8(5-16)6-18-13/h3-4,6-7H,1-2H3,(H2,18,19,20,21)
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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: 2293-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.028
BindingDB Entry DOI: 10.7270/Q26971TD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15245
PNG
(1-(3-Chlorophenyl)-3-[6-[1-(dimethylamino)propan-2...)
Show SMILES CC(CN(C)C)Oc1cncc(NC(=O)Nc2cccc(Cl)c2)n1
Show InChI InChI=1S/C16H20ClN5O2/c1-11(10-22(2)3)24-15-9-18-8-14(20-15)21-16(23)19-13-6-4-5-12(17)7-13/h4-9,11H,10H2,1-3H3,(H2,19,20,21,23)
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n/an/a 26n/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...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15246
PNG
(1-(5-Chloro-2-methoxyphenyl)-3-[6-[1-(dimethylamin...)
Show SMILES COc1ccc(Cl)cc1NC(=O)Nc1cncc(OC(C)CN(C)C)n1
Show InChI InChI=1S/C17H22ClN5O3/c1-11(10-23(2)3)26-16-9-19-8-15(21-16)22-17(24)20-13-7-12(18)5-6-14(13)25-4/h5-9,11H,10H2,1-4H3,(H2,20,21,22,24)
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n/an/a 22n/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...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15247
PNG
(7-chloro-11,17-dioxa-2,4,20,22-tetraazatricyclo[16...)
Show SMILES Clc1ccc2OCCCCCOc3cncc(NC(=O)Nc2c1)n3
Show InChI InChI=1S/C16H17ClN4O3/c17-11-4-5-13-12(8-11)19-16(22)21-14-9-18-10-15(20-14)24-7-3-1-2-6-23-13/h4-5,8-10H,1-3,6-7H2,(H2,19,20,21,22)
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n/an/a 10n/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...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15248
PNG
(7-chloro-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricy...)
Show SMILES Clc1ccc2OCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N
Show InChI InChI=1S/C17H16ClN5O3/c18-11-4-5-14-12(8-11)21-17(24)23-15-10-20-13(9-19)16(22-15)26-7-3-1-2-6-25-14/h4-5,8,10H,1-3,6-7H2,(H2,21,22,23,24)
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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...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15249
PNG
(7-chloro-3-oxo-11,16-dioxa-2,4,19,21-tetraazatricy...)
Show SMILES Clc1ccc2OCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N
Show InChI InChI=1S/C16H14ClN5O3/c17-10-3-4-13-11(7-10)20-16(23)22-14-9-19-12(8-18)15(21-14)25-6-2-1-5-24-13/h3-4,7,9H,1-2,5-6H2,(H2,20,21,22,23)
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n/an/a 6n/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...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15250
PNG
(7-chloro-3-oxo-11,18-dioxa-2,4,21,23-tetraazatricy...)
Show SMILES Clc1ccc2OCCCCCCOc3nc(NC(=O)Nc2c1)cnc3C#N
Show InChI InChI=1S/C18H18ClN5O3/c19-12-5-6-15-13(9-12)22-18(25)24-16-11-21-14(10-20)17(23-16)27-8-4-2-1-3-7-26-15/h5-6,9,11H,1-4,7-8H2,(H2,22,23,24,25)
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n/an/a 28n/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...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15251
PNG
(7-chloro-8-hydroxy-3-oxo-11,17-dioxa-2,4,20,22-tet...)
Show SMILES Oc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C17H16ClN5O4/c18-10-6-11-14(7-13(10)24)26-4-2-1-3-5-27-16-12(8-19)20-9-15(22-16)23-17(25)21-11/h6-7,9,24H,1-5H2,(H2,21,22,23,25)
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n/an/a 6n/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...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15252
PNG
(7-chloro-8-(3-hydroxypropoxy)-3-oxo-11,17-dioxa-2,...)
Show SMILES OCCCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C20H22ClN5O5/c21-13-9-14-17(10-16(13)29-8-4-5-27)30-6-2-1-3-7-31-19-15(11-22)23-12-18(25-19)26-20(28)24-14/h9-10,12,27H,1-8H2,(H2,24,25,26,28)
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n/an/a 2n/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...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM15253
PNG
(8-(3-aminopropoxy)-7-chloro-3-oxo-11,17-dioxa-2,4,...)
Show SMILES NCCCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C20H23ClN6O4/c21-13-9-14-17(10-16(13)29-8-4-5-22)30-6-2-1-3-7-31-19-15(11-23)24-12-18(26-19)27-20(28)25-14/h9-10,12H,1-8,22H2,(H2,25,26,27,28)
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n/an/a 1n/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...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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