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PubMed code 23587425

Compile data set for download or QSAR
Found 37 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 (Human))
BDBM50433763
PNG
(CHEMBL2381611)
Show SMILES NC(=O)c1ncc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)15-10-25-17(24-15)14(9-22-18(25)16(20)26)23-13-2-1-7-21-8-13/h3-6,9-10,13,21,23H,1-2,7-8H2,(H2,20,26)/t13-/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433766
PNG
(CHEMBL2381604)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C22H22N6O/c23-20(29)19-12-25-21(26-17-6-3-9-24-11-17)22-27-18(13-28(19)22)16-8-7-14-4-1-2-5-15(14)10-16/h1-2,4-5,7-8,10,12-13,17,24H,3,6,9,11H2,(H2,23,29)(H,25,26)/t17-/m0/s1
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433765
PNG
(CHEMBL2381605)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H19FN6O/c19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13/h3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23)/t13-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433758
PNG
(CHEMBL2381596)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13/h3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23)/t13-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433761
PNG
(CHEMBL2381601)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433760
PNG
(CHEMBL2381599)
Show SMILES NCCCNc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN6O/c17-11-4-2-10(3-5-11)12-9-23-13(14(19)24)8-21-15(16(23)22-12)20-7-1-6-18/h2-5,8-9H,1,6-7,18H2,(H2,19,24)(H,20,21)
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n/an/a 290n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433768
PNG
(CHEMBL2381602)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,1.0,(10.68,-10.98,;12.01,-11.75,;13.35,-10.99,;14.68,-11.75,;14.69,-13.3,;13.35,-14.07,;12.02,-13.29,;16.02,-14.06,;16.03,-15.6,;14.7,-16.37,;14.7,-17.92,;16.03,-18.69,;16.03,-20.23,;14.7,-21,;17.37,-20.99,;17.37,-17.91,;18.84,-18.38,;19.74,-17.12,;18.82,-15.88,;17.36,-16.37,;21.28,-17.11,;22.05,-18.44,;23.59,-18.44,;24.35,-17.1,;25.89,-17.09,;23.57,-15.76,;22.03,-15.78,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14+
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n/an/a 310n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433769
PNG
(CHEMBL2381600)
Show SMILES CN[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:5.8,wD:2.1,(67.27,-1.42,;67.27,-2.96,;68.6,-3.73,;68.6,-5.27,;69.94,-6.05,;71.27,-5.27,;71.26,-3.73,;69.94,-2.96,;72.61,-6.04,;72.61,-7.58,;71.28,-8.35,;71.28,-9.89,;72.62,-10.66,;72.62,-12.2,;71.29,-12.97,;73.95,-12.97,;73.96,-9.89,;75.43,-10.35,;76.32,-9.1,;75.41,-7.86,;73.95,-8.34,;77.86,-9.09,;78.64,-10.42,;80.17,-10.41,;80.94,-9.07,;82.48,-9.06,;80.15,-7.74,;78.62,-7.76,)|
Show InChI InChI=1S/C20H23ClN6O/c1-23-14-6-8-15(9-7-14)25-19-20-26-16(12-2-4-13(21)5-3-12)11-27(20)17(10-24-19)18(22)28/h2-5,10-11,14-15,23H,6-9H2,1H3,(H2,22,28)(H,24,25)/t14-,15-
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n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433758
PNG
(CHEMBL2381596)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13/h3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23)/t13-/m0/s1
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n/an/a 650n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433759
PNG
(CHEMBL2381598)
Show SMILES NC(=O)c1cnc(NC2CCNCC2)c2nc(cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN6O/c19-12-3-1-11(2-4-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-5-7-21-8-6-13/h1-4,9-10,13,21H,5-8H2,(H2,20,26)(H,22,23)
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n/an/a 690n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433767
PNG
(CHEMBL2381603)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)c(Cl)c1 |r,wU:4.7,wD:1.0,(10.68,-10.98,;12.01,-11.75,;12.02,-13.29,;13.35,-14.07,;14.69,-13.3,;14.68,-11.75,;13.35,-10.99,;16.02,-14.06,;16.03,-15.6,;14.7,-16.37,;14.7,-17.92,;16.03,-18.69,;16.03,-20.23,;14.7,-21,;17.37,-20.99,;17.37,-17.91,;18.84,-18.38,;19.74,-17.12,;18.82,-15.88,;17.36,-16.37,;21.28,-17.11,;22.03,-15.78,;23.57,-15.76,;24.35,-17.1,;25.89,-17.09,;23.59,-18.44,;24.37,-19.76,;22.05,-18.44,)|
Show InChI InChI=1S/C19H20Cl2N6O/c20-13-6-1-10(7-14(13)21)15-9-27-16(17(23)28)8-24-18(19(27)26-15)25-12-4-2-11(22)3-5-12/h1,6-9,11-12H,2-5,22H2,(H2,23,28)(H,24,25)/t11-,12-
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n/an/a 820n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433763
PNG
(CHEMBL2381611)
Show SMILES NC(=O)c1ncc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C18H19ClN6O/c19-12-5-3-11(4-6-12)15-10-25-17(24-15)14(9-22-18(25)16(20)26)23-13-2-1-7-21-8-13/h3-6,9-10,13,21,23H,1-2,7-8H2,(H2,20,26)/t13-/m0/s1
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n/an/a 840n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433769
PNG
(CHEMBL2381600)
Show SMILES CN[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:5.8,wD:2.1,(67.27,-1.42,;67.27,-2.96,;68.6,-3.73,;68.6,-5.27,;69.94,-6.05,;71.27,-5.27,;71.26,-3.73,;69.94,-2.96,;72.61,-6.04,;72.61,-7.58,;71.28,-8.35,;71.28,-9.89,;72.62,-10.66,;72.62,-12.2,;71.29,-12.97,;73.95,-12.97,;73.96,-9.89,;75.43,-10.35,;76.32,-9.1,;75.41,-7.86,;73.95,-8.34,;77.86,-9.09,;78.64,-10.42,;80.17,-10.41,;80.94,-9.07,;82.48,-9.06,;80.15,-7.74,;78.62,-7.76,)|
Show InChI InChI=1S/C20H23ClN6O/c1-23-14-6-8-15(9-7-14)25-19-20-26-16(12-2-4-13(21)5-3-12)11-27(20)17(10-24-19)18(22)28/h2-5,10-11,14-15,23H,6-9H2,1H3,(H2,22,28)(H,24,25)/t14-,15-
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n/an/a 890n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433765
PNG
(CHEMBL2381605)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C18H19FN6O/c19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13/h3-6,9-10,13,21H,1-2,7-8H2,(H2,20,26)(H,22,23)/t13-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433766
PNG
(CHEMBL2381604)
Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(cn12)-c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C22H22N6O/c23-20(29)19-12-25-21(26-17-6-3-9-24-11-17)22-27-18(13-28(19)22)16-8-7-14-4-1-2-5-15(14)10-16/h1-2,4-5,7-8,10,12-13,17,24H,3,6,9,11H2,(H2,23,29)(H,25,26)/t17-/m0/s1
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n/an/a 910n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433761
PNG
(CHEMBL2381601)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a 1.08E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50433761
PNG
(CHEMBL2381601)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CAMK4


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50433761
PNG
(CHEMBL2381601)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human IRAK4


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433768
PNG
(CHEMBL2381602)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,1.0,(10.68,-10.98,;12.01,-11.75,;13.35,-10.99,;14.68,-11.75,;14.69,-13.3,;13.35,-14.07,;12.02,-13.29,;16.02,-14.06,;16.03,-15.6,;14.7,-16.37,;14.7,-17.92,;16.03,-18.69,;16.03,-20.23,;14.7,-21,;17.37,-20.99,;17.37,-17.91,;18.84,-18.38,;19.74,-17.12,;18.82,-15.88,;17.36,-16.37,;21.28,-17.11,;22.05,-18.44,;23.59,-18.44,;24.35,-17.1,;25.89,-17.09,;23.57,-15.76,;22.03,-15.78,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14+
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433762
PNG
(CHEMBL2381612)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cnc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(38,-12.55,;39.33,-13.32,;39.33,-14.87,;40.67,-15.64,;41.99,-14.86,;41.99,-13.32,;40.67,-12.56,;43.33,-15.63,;43.34,-17.17,;42.01,-17.94,;42,-19.48,;43.34,-20.25,;43.34,-21.79,;42.01,-22.56,;44.67,-22.56,;44.68,-19.47,;46.15,-19.94,;47.05,-18.69,;46.13,-17.45,;44.67,-17.93,;48.59,-18.68,;49.36,-20.01,;50.9,-20,;51.66,-18.66,;53.2,-18.65,;50.88,-17.33,;49.34,-17.34,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)16-10-26-18(25-16)15(9-23-19(26)17(22)27)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14,24H,5-8,21H2,(H2,22,27)/t13-,14-
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n/an/a 1.98E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433764
PNG
(CHEMBL2381607)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c2nc(cn12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(27.43,-20.12,;26.1,-19.35,;26.1,-17.81,;24.76,-17.03,;23.44,-17.81,;23.43,-19.35,;24.76,-20.12,;22.11,-17.04,;22.1,-15.5,;20.77,-14.73,;20.77,-13.19,;22.1,-12.42,;22.1,-10.88,;23.43,-10.1,;20.76,-10.11,;23.44,-13.18,;24.9,-12.7,;25.81,-13.94,;24.91,-15.19,;23.44,-14.72,;27.35,-13.93,;28.13,-15.26,;29.67,-15.25,;30.43,-13.91,;31.97,-13.9,;29.64,-12.58,;28.11,-12.59,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)16-10-26-18(25-16)15(17(22)27)9-23-19(26)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433760
PNG
(CHEMBL2381599)
Show SMILES NCCCNc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN6O/c17-11-4-2-10(3-5-11)12-9-23-13(14(19)24)8-21-15(16(23)22-12)20-7-1-6-18/h2-5,8-9H,1,6-7,18H2,(H2,19,24)(H,20,21)
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n/an/a 4.09E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433759
PNG
(CHEMBL2381598)
Show SMILES NC(=O)c1cnc(NC2CCNCC2)c2nc(cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN6O/c19-12-3-1-11(2-4-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-5-7-21-8-6-13/h1-4,9-10,13,21H,5-8H2,(H2,20,26)(H,22,23)
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n/an/a 4.15E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433767
PNG
(CHEMBL2381603)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)c(Cl)c1 |r,wU:4.7,wD:1.0,(10.68,-10.98,;12.01,-11.75,;12.02,-13.29,;13.35,-14.07,;14.69,-13.3,;14.68,-11.75,;13.35,-10.99,;16.02,-14.06,;16.03,-15.6,;14.7,-16.37,;14.7,-17.92,;16.03,-18.69,;16.03,-20.23,;14.7,-21,;17.37,-20.99,;17.37,-17.91,;18.84,-18.38,;19.74,-17.12,;18.82,-15.88,;17.36,-16.37,;21.28,-17.11,;22.03,-15.78,;23.57,-15.76,;24.35,-17.1,;25.89,-17.09,;23.59,-18.44,;24.37,-19.76,;22.05,-18.44,)|
Show InChI InChI=1S/C19H20Cl2N6O/c20-13-6-1-10(7-14(13)21)15-9-27-16(17(23)28)8-24-18(19(27)26-15)25-12-4-2-11(22)3-5-12/h1,6-9,11-12H,2-5,22H2,(H2,23,28)(H,24,25)/t11-,12-
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n/an/a 5.07E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50433770
PNG
(CHEMBL2381597)
Show SMILES NC(=O)c1cnc(Nc2cccnc2)c2nc(cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H13ClN6O/c19-12-5-3-11(4-6-12)14-10-25-15(16(20)26)9-22-17(18(25)24-14)23-13-2-1-7-21-8-13/h1-10H,(H2,20,26)(H,22,23)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50433761
PNG
(CHEMBL2381601)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human IGF1R


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Casein kinase I isoform delta


(Homo sapiens (Human))
BDBM50433761
PNG
(CHEMBL2381601)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CSNK1D


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Testis-specific serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50433761
PNG
(CHEMBL2381601)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human TSSK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50433761
PNG
(CHEMBL2381601)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a 1.30E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human JAK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50433761
PNG
(CHEMBL2381601)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human IKKB


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50433761
PNG
(CHEMBL2381601)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human MET


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50433761
PNG
(CHEMBL2381601)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50433761
PNG
(CHEMBL2381601)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)n2cc(nc12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(5.4,-11.59,;6.74,-12.36,;6.74,-13.9,;8.07,-14.67,;9.41,-13.9,;9.4,-12.36,;8.07,-11.59,;10.74,-14.67,;10.75,-16.21,;9.42,-16.98,;9.42,-18.52,;10.75,-19.29,;10.75,-20.83,;9.42,-21.6,;12.09,-21.6,;12.09,-18.51,;13.56,-18.98,;14.46,-17.73,;13.55,-16.49,;12.08,-16.97,;16,-17.72,;16.77,-19.05,;18.31,-19.04,;19.07,-17.7,;20.61,-17.69,;18.29,-16.37,;16.75,-16.38,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)15-10-26-16(17(22)27)9-23-18(19(26)25-15)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a>3.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human ERK2


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433773
PNG
(CHEMBL2381608)
Show SMILES NC(=O)c1cnc(N[C@@H]2CCNC2)n2cc(nc12)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C17H17ClN6O/c18-11-3-1-10(2-4-11)14-9-24-16(23-14)13(15(19)25)8-21-17(24)22-12-5-6-20-7-12/h1-4,8-9,12,20H,5-7H2,(H2,19,25)(H,21,22)/t12-/m1/s1
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n/an/a 4.21E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433764
PNG
(CHEMBL2381607)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c2nc(cn12)-c1ccc(Cl)cc1 |r,wU:4.7,wD:1.0,(27.43,-20.12,;26.1,-19.35,;26.1,-17.81,;24.76,-17.03,;23.44,-17.81,;23.43,-19.35,;24.76,-20.12,;22.11,-17.04,;22.1,-15.5,;20.77,-14.73,;20.77,-13.19,;22.1,-12.42,;22.1,-10.88,;23.43,-10.1,;20.76,-10.11,;23.44,-13.18,;24.9,-12.7,;25.81,-13.94,;24.91,-15.19,;23.44,-14.72,;27.35,-13.93,;28.13,-15.26,;29.67,-15.25,;30.43,-13.91,;31.97,-13.9,;29.64,-12.58,;28.11,-12.59,)|
Show InChI InChI=1S/C19H21ClN6O/c20-12-3-1-11(2-4-12)16-10-26-18(25-16)15(17(22)27)9-23-19(26)24-14-7-5-13(21)6-8-14/h1-4,9-10,13-14H,5-8,21H2,(H2,22,27)(H,23,24)/t13-,14-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433771
PNG
(CHEMBL2381610)
Show SMILES NC(=O)c1cnc(NCC2CCCNC2)n2cc(nc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN6O/c20-14-5-3-13(4-6-14)16-11-26-18(25-16)15(17(21)27)10-24-19(26)23-9-12-2-1-7-22-8-12/h3-6,10-12,22H,1-2,7-9H2,(H2,21,27)(H,23,24)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50433772
PNG
(CHEMBL2381609)
Show SMILES CN1CCC(CC1)Nc1ncc(C(N)=O)c2nc(cn12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C19H21ClN6O/c1-25-8-6-14(7-9-25)23-19-22-10-15(17(21)27)18-24-16(11-26(18)19)12-2-4-13(20)5-3-12/h2-5,10-11,14H,6-9H2,1H3,(H2,21,27)(H,22,23)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin)


Bioorg Med Chem Lett 23: 2863-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.100
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%