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7 similar compounds to monomer 91831

Compile data set for download or QSAR
Wt: 418.8
BDBM14607
Wt: 432.8
BDBM14610
Wt: 488.9
BDBM14611
Wt: 450.8
BDBM14620
Wt: 464.9
BDBM14621
Wt: 480.9
BDBM14623
Wt: 480.9
BDBM14627

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 14607,14610,14611,14620,14621,14623,14627   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM14607
PNG
(N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...)
Show SMILES CCOCCC(=O)Nc1cc(OC)c(NC(=O)Nc2cnc(cn2)C#N)cc1Cl
Show InChI InChI=1S/C18H19ClN6O4/c1-3-29-5-4-17(26)23-13-7-15(28-2)14(6-12(13)19)24-18(27)25-16-10-21-11(8-20)9-22-16/h6-7,9-10H,3-5H2,1-2H3,(H,23,26)(H2,22,24,25,27)
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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...


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 (Human))
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 (Human))
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 (Human))
BDBM14627
PNG
(N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...)
Show SMILES COc1cc(NC(=O)CCCOc2ccccc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H21ClN6O4/c1-33-20-11-18(28-22(31)8-5-9-34-16-6-3-2-4-7-16)17(24)10-19(20)29-23(32)30-21-14-26-15(12-25)13-27-21/h2-4,6-7,10-11,13-14H,5,8-9H2,1H3,(H,28,31)(H2,27,29,30,32)
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n/an/a 228n/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...


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 (Human))
BDBM14621
PNG
(N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...)
Show SMILES COc1cc(NC(=O)CCCc2ccccc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C23H21ClN6O3/c1-33-20-11-18(28-22(31)9-5-8-15-6-3-2-4-7-15)17(24)10-19(20)29-23(32)30-21-14-26-16(12-25)13-27-21/h2-4,6-7,10-11,13-14H,5,8-9H2,1H3,(H,28,31)(H2,27,29,30,32)
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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...


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 (Human))
BDBM14623
PNG
(N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...)
Show SMILES COc1ccc(CCC(=O)Nc2cc(OC)c(NC(=O)Nc3cnc(cn3)C#N)cc2Cl)cc1
Show InChI InChI=1S/C23H21ClN6O4/c1-33-16-6-3-14(4-7-16)5-8-22(31)28-18-10-20(34-2)19(9-17(18)24)29-23(32)30-21-13-26-15(11-25)12-27-21/h3-4,6-7,9-10,12-13H,5,8H2,1-2H3,(H,28,31)(H2,27,29,30,32)
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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...


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 (Human))
BDBM14620
PNG
(N-(2-chloro-4-{[(5-cyanopyrazin-2-yl)carbamoyl]ami...)
Show SMILES COc1cc(NC(=O)CCc2ccccc2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N
Show InChI InChI=1S/C22H19ClN6O3/c1-32-19-10-17(27-21(30)8-7-14-5-3-2-4-6-14)16(23)9-18(19)28-22(31)29-20-13-25-15(11-24)12-26-20/h2-6,9-10,12-13H,7-8H2,1H3,(H,27,30)(H2,26,28,29,31)
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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...


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