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Compile Data Set for Download or QSAR

Found 51 hits Enz. Inhib. hit(s) with all data for entry = 1934   
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 (Human))
BDBM15258
PNG
(7-chloro-8-[2-(dimethylamino)ethoxy]-3-oxo-11,17-d...)
Show SMILES CN(C)CCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C21H25ClN6O4/c1-28(2)6-9-31-17-11-18-15(10-14(17)22)25-21(29)27-19-13-24-16(12-23)20(26-19)32-8-5-3-4-7-30-18/h10-11,13H,3-9H2,1-2H3,(H2,25,26,27,29)
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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)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
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)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15283
PNG
(N-{7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-t...)
Show SMILES CN(C)CC(=O)Nc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C21H24ClN7O4/c1-29(2)12-19(30)25-14-9-17-15(8-13(14)22)26-21(31)28-18-11-24-16(10-23)20(27-18)33-7-5-3-4-6-32-17/h8-9,11H,3-7,12H2,1-2H3,(H,25,30)(H2,26,27,28,31)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15268
PNG
(7-chloro-8-(methylamino)-3-oxo-11,17-dioxa-2,4,20,...)
Show SMILES CNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C18H19ClN6O3/c1-21-12-8-15-13(7-11(12)19)23-18(26)25-16-10-22-14(9-20)17(24-16)28-6-4-2-3-5-27-15/h7-8,10,21H,2-6H2,1H3,(H2,23,24,25,26)
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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 (Human))
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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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 (Human))
BDBM15271
PNG
(7-chloro-8-[(2-hydroxyethyl)amino]-3-oxo-11,17-dio...)
Show SMILES OCCNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C19H21ClN6O4/c20-12-8-14-16(9-13(12)22-4-5-27)29-6-2-1-3-7-30-18-15(10-21)23-11-17(25-18)26-19(28)24-14/h8-9,11,22,27H,1-7H2,(H2,24,25,26,28)
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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 (Human))
BDBM15284
PNG
(N-{7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-t...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NC(=O)CCNC1CCCC1)n3
Show InChI InChI=1S/C25H30ClN7O4/c26-17-12-19-21(13-18(17)30-23(34)8-9-28-16-6-2-3-7-16)36-10-4-1-5-11-37-24-20(14-27)29-15-22(32-24)33-25(35)31-19/h12-13,15-16,28H,1-11H2,(H,30,34)(H2,31,32,33,35)
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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...


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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15293
PNG
(7-chloro-8-[3-(diethylamino)prop-1-yn-1-yl]-3-oxo-...)
Show SMILES CCN(CC)CC#Cc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C24H27ClN6O3/c1-3-31(4-2)10-8-9-17-13-21-19(14-18(17)25)28-24(32)30-22-16-27-20(15-26)23(29-22)34-12-7-5-6-11-33-21/h13-14,16H,3-7,10-12H2,1-2H3,(H2,28,29,30,32)
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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...


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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15281
PNG
(7-chloro-8-{[(1-methyl-1H-imidazol-5-yl)methyl]ami...)
Show SMILES Cn1cncc1CNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C22H23ClN8O3/c1-31-13-25-10-14(31)11-26-16-8-19-17(7-15(16)23)28-22(32)30-20-12-27-18(9-24)21(29-20)34-6-4-2-3-5-33-19/h7-8,10,12-13,26H,2-6,11H2,1H3,(H2,28,29,30,32)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15254
PNG
(7-chloro-8-(2,3-dihydroxypropoxy)-3-oxo-11,17-diox...)
Show SMILES OCC(O)COc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C20H22ClN5O6/c21-13-6-14-17(7-16(13)32-11-12(28)10-27)30-4-2-1-3-5-31-19-15(8-22)23-9-18(25-19)26-20(29)24-14/h6-7,9,12,27-28H,1-5,10-11H2,(H2,24,25,26,29)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15267
PNG
(8-amino-7-chloro-3-oxo-11,17-dioxa-2,4,20,22-tetra...)
Show SMILES Nc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C17H17ClN6O3/c18-10-6-12-14(7-11(10)20)26-4-2-1-3-5-27-16-13(8-19)21-9-15(23-16)24-17(25)22-12/h6-7,9H,1-5,20H2,(H2,22,23,24,25)
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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 (Human))
BDBM15266
PNG
(7-chloro-8-[2-(1H-imidazol-1-yl)ethoxy]-3-oxo-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1OCCn1ccnc1)n3
Show InChI InChI=1S/C22H22ClN7O4/c23-15-10-16-19(11-18(15)33-9-6-30-5-4-25-14-30)32-7-2-1-3-8-34-21-17(12-24)26-13-20(28-21)29-22(31)27-16/h4-5,10-11,13-14H,1-3,6-9H2,(H2,27,28,29,31)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15288
PNG
(8-[bis(2-hydroxyethyl)amino]-7-chloro-3-oxo-11,17-...)
Show SMILES OCCN(CCO)c1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C21H25ClN6O5/c22-14-10-15-18(11-17(14)28(4-6-29)5-7-30)32-8-2-1-3-9-33-20-16(12-23)24-13-19(26-20)27-21(31)25-15/h10-11,13,29-30H,1-9H2,(H2,25,26,27,31)
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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 (Human))
BDBM15269
PNG
(7-chloro-8-(ethylamino)-3-oxo-11,17-dioxa-2,4,20,2...)
Show SMILES CCNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C19H21ClN6O3/c1-2-22-13-9-16-14(8-12(13)20)24-19(27)26-17-11-23-15(10-21)18(25-17)29-7-5-3-4-6-28-16/h8-9,11,22H,2-7H2,1H3,(H2,24,25,26,27)
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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 (Human))
BDBM15295
PNG
(7-chloro-8-(2,3-dihydroxypropyl)-3-oxo-11,17-dioxa...)
Show SMILES OCC(O)Cc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C20H22ClN5O5/c21-14-8-15-17(7-12(14)6-13(28)11-27)30-4-2-1-3-5-31-19-16(9-22)23-10-18(25-19)26-20(29)24-15/h7-8,10,13,27-28H,1-6,11H2,(H2,24,25,26,29)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15294
PNG
(7-chloro-8-(3-hydroxypropyl)-3-oxo-11,17-dioxa-2,4...)
Show SMILES OCCCc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C20H22ClN5O4/c21-14-10-15-17(9-13(14)5-4-6-27)29-7-2-1-3-8-30-19-16(11-22)23-12-18(25-19)26-20(28)24-15/h9-10,12,27H,1-8H2,(H2,24,25,26,28)
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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...


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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15256
PNG
(7-chloro-8-(2-methoxyethoxy)-3-oxo-11,17-dioxa-2,4...)
Show SMILES COCCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C20H22ClN5O5/c1-28-7-8-30-16-10-17-14(9-13(16)21)24-20(27)26-18-12-23-15(11-22)19(25-18)31-6-4-2-3-5-29-17/h9-10,12H,2-8H2,1H3,(H2,24,25,26,27)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15261
PNG
(7-chloro-8-ethoxy-3-oxo-11,17-dioxa-2,4,20,22-tetr...)
Show SMILES CCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C19H20ClN5O4/c1-2-27-15-9-16-13(8-12(15)20)23-19(26)25-17-11-22-14(10-21)18(24-17)29-7-5-3-4-6-28-16/h8-9,11H,2-7H2,1H3,(H2,23,24,25,26)
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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 (Human))
BDBM15255
PNG
(7-chloro-8-(2-hydroxyethoxy)-3-oxo-11,17-dioxa-2,4...)
Show SMILES OCCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C19H20ClN5O5/c20-12-8-13-16(9-15(12)29-7-4-26)28-5-2-1-3-6-30-18-14(10-21)22-11-17(24-18)25-19(27)23-13/h8-9,11,26H,1-7H2,(H2,23,24,25,27)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
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 (Human))
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 (Human))
BDBM15278
PNG
(7-chloro-3-oxo-8-[(1,3-thiazol-5-ylmethyl)amino]-1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C21H20ClN7O3S/c22-14-6-16-18(7-15(14)25-10-13-9-24-12-33-13)31-4-2-1-3-5-32-20-17(8-23)26-11-19(28-20)29-21(30)27-16/h6-7,9,11-12,25H,1-5,10H2,(H2,27,28,29,30)
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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...


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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
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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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 (Human))
BDBM15279
PNG
(7-chloro-8-[(1,3-oxazol-5-ylmethyl)amino]-3-oxo-11...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1cnco1)n3
Show InChI InChI=1S/C21H20ClN7O4/c22-14-6-16-18(7-15(14)25-10-13-9-24-12-33-13)31-4-2-1-3-5-32-20-17(8-23)26-11-19(28-20)29-21(30)27-16/h6-7,9,11-12,25H,1-5,10H2,(H2,27,28,29,30)
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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...


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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15282
PNG
(N-{7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-t...)
Show SMILES CC(=O)Nc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C19H19ClN6O4/c1-11(27)23-13-8-16-14(7-12(13)20)24-19(28)26-17-10-22-15(9-21)18(25-17)30-6-4-2-3-5-29-16/h7-8,10H,2-6H2,1H3,(H,23,27)(H2,24,25,26,28)
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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...


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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15286
PNG
(7-chloro-8-(dimethylamino)-3-oxo-11,17-dioxa-2,4,2...)
Show SMILES CN(C)c1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C19H21ClN6O3/c1-26(2)15-9-16-13(8-12(15)20)23-19(27)25-17-11-22-14(10-21)18(24-17)29-7-5-3-4-6-28-16/h8-9,11H,3-7H2,1-2H3,(H2,23,24,25,27)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15264
PNG
(7-chloro-3-oxo-8-(pyridin-3-ylmethoxy)-11,17-dioxa...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1OCc1cccnc1)n3
Show InChI InChI=1S/C23H21ClN6O4/c24-16-9-17-20(10-19(16)34-14-15-5-4-6-26-12-15)32-7-2-1-3-8-33-22-18(11-25)27-13-21(29-22)30-23(31)28-17/h4-6,9-10,12-13H,1-3,7-8,14H2,(H2,28,29,30,31)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15257
PNG
(7-chloro-8-[2-(2-methoxyethoxy)ethoxy]-3-oxo-11,17...)
Show SMILES COCCOCCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C22H26ClN5O6/c1-30-7-8-31-9-10-33-18-12-19-16(11-15(18)23)26-22(29)28-20-14-25-17(13-24)21(27-20)34-6-4-2-3-5-32-19/h11-12,14H,2-10H2,1H3,(H2,26,27,28,29)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15290
PNG
(7-chloro-8-(3-hydroxyprop-1-yn-1-yl)-3-oxo-11,17-d...)
Show SMILES OCC#Cc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C20H18ClN5O4/c21-14-10-15-17(9-13(14)5-4-6-27)29-7-2-1-3-8-30-19-16(11-22)23-12-18(25-19)26-20(28)24-15/h9-10,12,27H,1-3,6-8H2,(H2,24,25,26,28)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
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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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 (Human))
BDBM15272
PNG
(7-chloro-3-oxo-8-(propan-2-ylamino)-11,17-dioxa-2,...)
Show SMILES CC(C)Nc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C20H23ClN6O3/c1-12(2)24-14-9-17-15(8-13(14)21)25-20(28)27-18-11-23-16(10-22)19(26-18)30-7-5-3-4-6-29-17/h8-9,11-12,24H,3-7H2,1-2H3,(H2,25,26,27,28)
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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 (Human))
BDBM15274
PNG
(7-chloro-3-oxo-8-[(pyridin-3-ylmethyl)amino]-11,17...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1cccnc1)n3
Show InChI InChI=1S/C23H22ClN7O3/c24-16-9-18-20(10-17(16)27-13-15-5-4-6-26-12-15)33-7-2-1-3-8-34-22-19(11-25)28-14-21(30-22)31-23(32)29-18/h4-6,9-10,12,14,27H,1-3,7-8,13H2,(H2,29,30,31,32)
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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 (Human))
BDBM15263
PNG
(7-chloro-3-oxo-8-(pyridin-4-ylmethoxy)-11,17-dioxa...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1OCc1ccncc1)n3
Show InChI InChI=1S/C23H21ClN6O4/c24-16-10-17-20(11-19(16)34-14-15-4-6-26-7-5-15)32-8-2-1-3-9-33-22-18(12-25)27-13-21(29-22)30-23(31)28-17/h4-7,10-11,13H,1-3,8-9,14H2,(H2,28,29,30,31)
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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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15262
PNG
(7-chloro-3-oxo-8-(propan-2-yloxy)-11,17-dioxa-2,4,...)
Show SMILES CC(C)Oc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C20H22ClN5O4/c1-12(2)30-16-9-17-14(8-13(16)21)24-20(27)26-18-11-23-15(10-22)19(25-18)29-7-5-3-4-6-28-17/h8-9,11-12H,3-7H2,1-2H3,(H2,24,25,26,27)
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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 (Human))
BDBM15275
PNG
(7-chloro-3-oxo-8-[(pyridin-4-ylmethyl)amino]-11,17...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1ccncc1)n3
Show InChI InChI=1S/C23H22ClN7O3/c24-16-10-18-20(11-17(16)27-13-15-4-6-26-7-5-15)33-8-2-1-3-9-34-22-19(12-25)28-14-21(30-22)31-23(32)29-18/h4-7,10-11,14,27H,1-3,8-9,13H2,(H2,29,30,31,32)
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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 (Human))
BDBM15270
PNG
(8-(butylamino)-7-chloro-3-oxo-11,17-dioxa-2,4,20,2...)
Show SMILES CCCCNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C21H25ClN6O3/c1-2-3-7-24-15-11-18-16(10-14(15)22)26-21(29)28-19-13-25-17(12-23)20(27-19)31-9-6-4-5-8-30-18/h10-11,13,24H,2-9H2,1H3,(H2,26,27,28,29)
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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 (Human))
BDBM15285
PNG
(N-{7-chloro-19-cyano-3-oxo-11,17-dioxa-2,4,20,22-t...)
Show SMILES CS(=O)(=O)Nc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C18H19ClN6O5S/c1-31(27,28)25-12-8-15-13(7-11(12)19)22-18(26)24-16-10-21-14(9-20)17(23-16)30-6-4-2-3-5-29-15/h7-8,10,25H,2-6H2,1H3,(H2,22,23,24,26)
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n/an/a 15n/an/an/an/an/an/a



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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15273
PNG
(7-chloro-8-[(2-methylpropyl)amino]-3-oxo-11,17-dio...)
Show SMILES CC(C)CNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C21H25ClN6O3/c1-13(2)11-24-15-9-18-16(8-14(15)22)26-21(29)28-19-12-25-17(10-23)20(27-19)31-7-5-3-4-6-30-18/h8-9,12-13,24H,3-7,11H2,1-2H3,(H2,26,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



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 (Human))
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 (Human))
BDBM15291
PNG
(7-chloro-8-(3-hydroxybut-1-yn-1-yl)-3-oxo-11,17-di...)
Show SMILES CC(O)C#Cc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C21H20ClN5O4/c1-13(28)5-6-14-9-18-16(10-15(14)22)25-21(29)27-19-12-24-17(11-23)20(26-19)31-8-4-2-3-7-30-18/h9-10,12-13,28H,2-4,7-8H2,1H3,(H2,25,26,27,29)
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n/an/a 26n/an/an/an/an/an/a



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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
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 (Human))
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 (Human))
BDBM15265
PNG
(7-chloro-3-oxo-8-(pyridin-2-ylmethoxy)-11,17-dioxa...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1OCc1ccccn1)n3
Show InChI InChI=1S/C23H21ClN6O4/c24-16-10-17-20(11-19(16)34-14-15-6-2-3-7-26-15)32-8-4-1-5-9-33-22-18(12-25)27-13-21(29-22)30-23(31)28-17/h2-3,6-7,10-11,13H,1,4-5,8-9,14H2,(H2,28,29,30,31)
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n/an/a 63n/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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15292
PNG
(7-chloro-8-(3-hydroxy-3-methylbut-1-yn-1-yl)-3-oxo...)
Show SMILES CC(C)(O)C#Cc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C22H22ClN5O4/c1-22(2,30)7-6-14-10-18-16(11-15(14)23)26-21(29)28-19-13-25-17(12-24)20(27-19)32-9-5-3-4-8-31-18/h10-11,13,30H,3-5,8-9H2,1-2H3,(H2,26,27,28,29)
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n/an/a 109n/an/an/an/an/an/a



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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15289
PNG
(7-chloro-3-oxo-8-(piperidin-1-yl)-11,17-dioxa-2,4,...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1N1CCCCC1)n3
Show InChI InChI=1S/C22H25ClN6O3/c23-15-11-16-19(12-18(15)29-7-3-1-4-8-29)31-9-5-2-6-10-32-21-17(13-24)25-14-20(27-21)28-22(30)26-16/h11-12,14H,1-10H2,(H2,26,27,28,30)
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n/an/a 139n/an/an/an/an/an/a



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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15280
PNG
(7-chloro-3-oxo-8-[(thiophen-3-ylmethyl)amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1ccsc1)n3
Show InChI InChI=1S/C22H21ClN6O3S/c23-15-8-17-19(9-16(15)25-11-14-4-7-33-13-14)31-5-2-1-3-6-32-21-18(10-24)26-12-20(28-21)29-22(30)27-17/h4,7-9,12-13,25H,1-3,5-6,11H2,(H2,27,28,29,30)
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n/an/a 162n/an/an/an/an/an/a



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 (Human))
BDBM15277
PNG
(7-chloro-8-[(1H-imidazol-4-ylmethyl)amino]-3-oxo-1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1cnc[nH]1)n3
Show InChI InChI=1S/C21H21ClN8O3/c22-14-6-16-18(7-15(14)25-10-13-9-24-12-27-13)32-4-2-1-3-5-33-20-17(8-23)26-11-19(29-20)30-21(31)28-16/h6-7,9,11-12,25H,1-5,10H2,(H,24,27)(H2,28,29,30,31)
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n/an/a 231n/an/an/an/an/an/a



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 (Human))
BDBM15287
PNG
(7-chloro-8-(diethylamino)-3-oxo-11,17-dioxa-2,4,20...)
Show SMILES CCN(CC)c1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C21H25ClN6O3/c1-3-28(4-2)17-11-18-15(10-14(17)22)25-21(29)27-19-13-24-16(12-23)20(26-19)31-9-7-5-6-8-30-18/h10-11,13H,3-9H2,1-2H3,(H2,25,26,27,29)
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n/an/a 248n/an/an/an/an/an/a



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 (Human))
BDBM15276
PNG
(8-(benzylamino)-7-chloro-3-oxo-11,17-dioxa-2,4,20,...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1ccccc1)n3
Show InChI InChI=1S/C24H23ClN6O3/c25-17-11-19-21(12-18(17)27-14-16-7-3-1-4-8-16)33-9-5-2-6-10-34-23-20(13-26)28-15-22(30-23)31-24(32)29-19/h1,3-4,7-8,11-12,15,27H,2,5-6,9-10,14H2,(H2,29,30,31,32)
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n/an/a 266n/an/an/an/an/an/a



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 (Human))
BDBM15259
PNG
(7-chloro-8-(3-methylbutoxy)-3-oxo-11,17-dioxa-2,4,...)
Show SMILES CC(C)CCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C22H26ClN5O4/c1-14(2)6-9-31-18-11-19-16(10-15(18)23)26-22(29)28-20-13-25-17(12-24)21(27-20)32-8-5-3-4-7-30-19/h10-11,13-14H,3-9H2,1-2H3,(H2,26,27,28,29)
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n/an/a 1.06E+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...


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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