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58 similar compounds to monomer 15249

Compile data set for download or QSAR
Wt: 348.7
BDBM15247
Wt: 373.7
BDBM15248
Wt: 387.8
BDBM15250
Wt: 389.7
BDBM15251
Wt: 447.8
BDBM15252
Wt: 446.8
BDBM15253
Wt: 463.8
BDBM15254
Wt: 433.8
BDBM15255
Wt: 447.8
BDBM15256
Wt: 491.9
BDBM15257
Wt: 460.9
BDBM15258
Wt: 459.9
BDBM15259
Wt: 473.9
BDBM15260
Wt: 417.8
BDBM15261
Wt: 431.8
BDBM15262
Displayed 1 to 15 (of 58 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 15247,15248,15250,15251,15252,15253,15254,15255,15256,15257,15258,15259,15260,15261,15262   
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 (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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PubMed
7.90n/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 (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))
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))
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 (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))
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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n/an/a 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
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))
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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n/an/a 5n/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))
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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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...


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))
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))
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)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15260
PNG
(7-chloro-8-[(4-methylpentyl)oxy]-3-oxo-11,17-dioxa...)
Show SMILES CC(C)CCCOc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C23H28ClN5O4/c1-15(2)7-6-10-31-19-12-20-17(11-16(19)24)27-23(30)29-21-14-26-18(13-25)22(28-21)33-9-5-3-4-8-32-20/h11-12,14-15H,3-10H2,1-2H3,(H2,27,28,29,30)
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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...


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))
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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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))
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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n/an/a 13n/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))
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 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1 enzyme by radiometric assay


Bioorg Med Chem Lett 17: 6499-504 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.088
BindingDB Entry DOI: 10.7270/Q2RB74BP
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
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/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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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 (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)
PDB
MMDB

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PubMed
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)