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25 similar compounds to monomer 50224883

Wt: 359.7
BDBM15249
Wt: 388.8
BDBM15267
Wt: 402.8
BDBM15268
Wt: 416.8
BDBM15269
Wt: 444.9
BDBM15270
Wt: 432.8
BDBM15271
Wt: 430.8
BDBM15272
Wt: 444.9
BDBM15273
Wt: 479.9
BDBM15274
Wt: 479.9
BDBM15275
Wt: 478.9
BDBM15276
Wt: 468.8
BDBM15277
Wt: 485.9
BDBM15278
Wt: 469.8
BDBM15279
Wt: 484.9
BDBM15280
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 15249,15267,15268,15269,15270,15271,15272,15273,15274,15275,15276,15277,15278,15279,15280   
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)
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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13n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 2n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 4n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 2n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 11n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 12n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 13n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 6n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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n/an/a 7n/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)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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)

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/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)

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/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Chk1


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

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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Serine/threonine-protein kinase Chk1


(Homo sapiens)
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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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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)