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11 molecules are shown

Wt: 379.8
BDBM15246
Wt: 359.7
BDBM15249
Wt: 387.8
BDBM15250
Wt: 460.9
BDBM15258
Wt: 417.8
BDBM15261
Wt: 431.8
BDBM15262
Wt: 388.8
BDBM15267
Wt: 375.7
BDBM50224893
Wt: 374.7
BDBM50224901
Wt: 361.7
BDBM50414095
Wt: 366.7
BDBM50414073

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 15246,15249,15250,15258,15261,15262,15267,50224893,50224901,50414095,50414073   
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)
BDBM50414095
PNG
(CHEMBL542007)
Show SMILES Nc1cc2OC\C=C\CCOc3cncc(NC(=O)Nc2cc1Cl)n3
Show InChI InChI=1S/C16H16ClN5O3/c17-10-6-12-13(7-11(10)18)24-4-2-1-3-5-25-15-9-19-8-14(21-15)22-16(23)20-12/h1-2,6-9H,3-5,18H2,(H2,20,21,22,23)/b2-1+
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1.60n/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
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50414073
PNG
(CHEMBL560149)
Show SMILES OC1COc2cncc(NC(=O)Nc3cc(Cl)ccc3OCC1O)n2
Show InChI InChI=1S/C15H15ClN4O5/c16-8-1-2-12-9(3-8)18-15(23)20-13-4-17-5-14(19-13)25-7-11(22)10(21)6-24-12/h1-5,10-11,21-22H,6-7H2,(H2,18,19,20,23)
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16n/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
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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20n/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)
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)
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)
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)


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/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)
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)


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)
BDBM50224901
PNG
(8-amino-7-chloro-3-oxo-11,16-dioxa-2,4,19,21-tetra...)
Show SMILES Nc1cc2OCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C16H15ClN6O3/c17-9-5-11-13(6-10(9)19)25-3-1-2-4-26-15-12(7-18)20-8-14(22-15)23-16(24)21-11/h5-6,8H,1-4,19H2,(H2,21,22,23,24)
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n/an/a 1n/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)
BDBM50224893
PNG
(7-chloro-8-hydroxy-3-oxo-11,16-dioxa-2,4,19,21-tet...)
Show SMILES Oc1cc2OCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C16H14ClN5O4/c17-9-5-10-13(6-12(9)23)25-3-1-2-4-26-15-11(7-18)19-8-14(21-15)22-16(24)20-10/h5-6,8,23H,1-4H2,(H2,20,21,22,24)
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n/an/a 0.300n/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)
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)
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)
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)
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)
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)