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PubMed code 19155174

Compile data set for download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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)
BDBM50277001
PNG
(3-(3-chlorophenyl)-2-((R)-1-oxo-1-((S)-2,8-diazasp...)
Show SMILES CCCC[C@@H](Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC[C@]2(CCCNC2)C1
Show InChI InChI=1S/C29H35ClN4O2S/c1-2-3-13-25(27(36)33-17-8-15-29(20-33)14-7-16-31-19-29)37-28-32-24-12-5-4-11-23(24)26(35)34(28)22-10-6-9-21(30)18-22/h4-6,9-12,18,25,31H,2-3,7-8,13-17,19-20H2,1H3/t25-,29+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50276996
PNG
(1-(2-(3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazol...)
Show SMILES CC(C)CC(Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C26H29ClN4O3S/c1-16(2)14-22(25(34)30-12-10-17(11-13-30)23(28)32)35-26-29-21-9-4-3-8-20(21)24(33)31(26)19-7-5-6-18(27)15-19/h3-9,15-17,22H,10-14H2,1-2H3,(H2,28,32)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277026
PNG
(2-(1-oxo-1-(4-phenylpiperazin-1-yl)hexan-2-ylthio)...)
Show SMILES CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C30H32N4O2S/c1-2-3-18-27(29(36)33-21-19-32(20-22-33)23-12-6-4-7-13-23)37-30-31-26-17-11-10-16-25(26)28(35)34(30)24-14-8-5-9-15-24/h4-17,27H,2-3,18-22H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277028
PNG
(2-[1-(2,8-Diaza-spiro[5.5]undecane-2-carbonyl)-pen...)
Show SMILES CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCCC2(CCCNC2)C1
Show InChI InChI=1S/C29H36N4O2S/c1-2-3-15-25(27(35)32-19-10-17-29(21-32)16-9-18-30-20-29)36-28-31-24-14-8-7-13-23(24)26(34)33(28)22-11-5-4-6-12-22/h4-8,11-14,25,30H,2-3,9-10,15-21H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277029
PNG
(2-(1-(4,4-diphenylpiperidin-1-yl)-1-oxohexan-2-ylt...)
Show SMILES CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCC(CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C37H37N3O2S/c1-2-3-23-33(43-36-38-32-22-14-13-21-31(32)34(41)40(36)30-19-11-6-12-20-30)35(42)39-26-24-37(25-27-39,28-15-7-4-8-16-28)29-17-9-5-10-18-29/h4-22,33H,2-3,23-27H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277027
PNG
(2-[1-(1,1-Dioxo-1lambda*6*-thiomorpholine-4-carbon...)
Show SMILES CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C24H27N3O4S2/c1-2-3-13-21(23(29)26-14-16-33(30,31)17-15-26)32-24-25-20-12-8-7-11-19(20)22(28)27(24)18-9-5-4-6-10-18/h4-12,21H,2-3,13-17H2,1H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277024
PNG
(1-(2-(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-ylthi...)
Show SMILES CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C26H30N4O3S/c1-2-3-13-22(25(33)29-16-14-18(15-17-29)23(27)31)34-26-28-21-12-8-7-11-20(21)24(32)30(26)19-9-5-4-6-10-19/h4-12,18,22H,2-3,13-17H2,1H3,(H2,27,31)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277035
PNG
(1-(2-(3-(3-chlorophenyl)-8-methyl-4-oxo-3,4-dihydr...)
Show SMILES CCCCC(Sc1nc2c(C)cccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C27H31ClN4O3S/c1-3-4-11-22(26(35)31-14-12-18(13-15-31)24(29)33)36-27-30-23-17(2)7-5-10-21(23)25(34)32(27)20-9-6-8-19(28)16-20/h5-10,16,18,22H,3-4,11-15H2,1-2H3,(H2,29,33)
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n/an/a 1.70E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50276999
PNG
(1-(2-(3-(3-chlorophenyl)-8-hydroxy-4-oxo-3,4-dihyd...)
Show SMILES CCCCC(Sc1nc2c(O)cccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C26H29ClN4O4S/c1-2-3-10-21(25(35)30-13-11-16(12-14-30)23(28)33)36-26-29-22-19(8-5-9-20(22)32)24(34)31(26)18-7-4-6-17(27)15-18/h4-9,15-16,21,32H,2-3,10-14H2,1H3,(H2,28,33)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50276995
PNG
(1-(2-(3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazol...)
Show SMILES NC(=O)C1CCN(CC1)C(=O)C(Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccccc1
Show InChI InChI=1S/C28H25ClN4O3S/c29-20-9-6-10-21(17-20)33-26(35)22-11-4-5-12-23(22)31-28(33)37-24(18-7-2-1-3-8-18)27(36)32-15-13-19(14-16-32)25(30)34/h1-12,17,19,24H,13-16H2,(H2,30,34)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277000
PNG
(1-(2-(3-(3-chlorophenyl)-8-methoxy-4-oxo-3,4-dihyd...)
Show SMILES CCCCC(Sc1nc2c(OC)cccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C27H31ClN4O4S/c1-3-4-11-22(26(35)31-14-12-17(13-15-31)24(29)33)37-27-30-23-20(9-6-10-21(23)36-2)25(34)32(27)19-8-5-7-18(28)16-19/h5-10,16-17,22H,3-4,11-15H2,1-2H3,(H2,29,33)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277024
PNG
(1-(2-(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-ylthi...)
Show SMILES CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C26H30N4O3S/c1-2-3-13-22(25(33)29-16-14-18(15-17-29)23(27)31)34-26-28-21-12-8-7-11-20(21)24(32)30(26)19-9-5-4-6-10-19/h4-12,18,22H,2-3,13-17H2,1H3,(H2,27,31)
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n/an/a 2.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.2 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277034
PNG
(1-(2-(3-(3-chlorophenyl)-7-methyl-4-oxo-3,4-dihydr...)
Show SMILES CCCCC(Sc1nc2cc(C)ccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C27H31ClN4O3S/c1-3-4-8-23(26(35)31-13-11-18(12-14-31)24(29)33)36-27-30-22-15-17(2)9-10-21(22)25(34)32(27)20-7-5-6-19(28)16-20/h5-7,9-10,15-16,18,23H,3-4,8,11-14H2,1-2H3,(H2,29,33)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277031
PNG
(1-(2-(3-(2-chlorophenyl)-4-oxo-3,4-dihydroquinazol...)
Show SMILES CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1Cl)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C26H29ClN4O3S/c1-2-3-12-22(25(34)30-15-13-17(14-16-30)23(28)32)35-26-29-20-10-6-4-8-18(20)24(33)31(26)21-11-7-5-9-19(21)27/h4-11,17,22H,2-3,12-16H2,1H3,(H2,28,32)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277030
PNG
(1-(2-(3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazol...)
Show SMILES CC(C)C(Sc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C25H27ClN4O3S/c1-15(2)21(24(33)29-12-10-16(11-13-29)22(27)31)34-25-28-20-9-4-3-8-19(20)23(32)30(25)18-7-5-6-17(26)14-18/h3-9,14-16,21H,10-13H2,1-2H3,(H2,27,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277033
PNG
(1-(2-(3-(3-chlorophenyl)-5-methyl-4-oxo-3,4-dihydr...)
Show SMILES CCCCC(Sc1nc2cccc(C)c2c(=O)n1-c1cccc(Cl)c1)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C27H31ClN4O3S/c1-3-4-11-22(25(34)31-14-12-18(13-15-31)24(29)33)36-27-30-21-10-5-7-17(2)23(21)26(35)32(27)20-9-6-8-19(28)16-20/h5-10,16,18,22H,3-4,11-15H2,1-2H3,(H2,29,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50276994
PNG
(CHEMBL459794 | N-tert-butyl-2-(4-oxo-3-phenyl-3,4-...)
Show SMILES CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)NC(C)(C)C
Show InChI InChI=1S/C24H29N3O2S/c1-5-6-16-20(21(28)26-24(2,3)4)30-23-25-19-15-11-10-14-18(19)22(29)27(23)17-12-8-7-9-13-17/h7-15,20H,5-6,16H2,1-4H3,(H,26,28)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277032
PNG
(1-(2-(3-(4-chlorophenyl)-4-oxo-3,4-dihydroquinazol...)
Show SMILES CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)C(=O)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C26H29ClN4O3S/c1-2-3-8-22(25(34)30-15-13-17(14-16-30)23(28)32)35-26-29-21-7-5-4-6-20(21)24(33)31(26)19-11-9-18(27)10-12-19/h4-7,9-12,17,22H,2-3,8,13-16H2,1H3,(H2,28,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50276993
PNG
(2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfa...)
Show SMILES CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C30H35N3O2S/c1-2-3-13-26(27(34)32-30-17-20-14-21(18-30)16-22(15-20)19-30)36-29-31-25-12-8-7-11-24(25)28(35)33(29)23-9-5-4-6-10-23/h4-12,20-22,26H,2-3,13-19H2,1H3,(H,32,34)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens)
BDBM50277025
PNG
(CHEMBL518175 | N-cyclohexyl-2-(4-oxo-3-phenyl-3,4-...)
Show SMILES CCCCC(Sc1nc2ccccc2c(=O)n1-c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C26H31N3O2S/c1-2-3-18-23(24(30)27-19-12-6-4-7-13-19)32-26-28-22-17-11-10-16-21(22)25(31)29(26)20-14-8-5-9-15-20/h5,8-11,14-17,19,23H,2-4,6-7,12-13,18H2,1H3,(H,27,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of C-terminal 6-His tagged human Chk1 by HTRF assay in presence of 0.1 mM ATP


Bioorg Med Chem Lett 19: 1240-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.076
BindingDB Entry DOI: 10.7270/Q2S75G53
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%